Geometry & MOs

Info

ID:

181649

PubChem CID:

76769890

Reduced:

N3C23H29 (1)

Stoich.:

A3B23C29 (1)

Weight, g/mol:

642.366887

ΔHf, kcal/mol:

64.57

Dipole, Da:

1.76

IP(EA), eV:

 -8.86(0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-(cyclopropylmethyl)-16-(2-hydroxy-3,3-dimethylbutan-2-yl)-15-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-yl] N-(4-acetyl-3-methoxyphenyl)carbamate

Drug info:

PubChemData

Smile

CC1=CCC(=N1)C2C(CC3CCCC4C3C2NNC4=C)C5=CC=CC=C5

DOS

IR

Vibrations