Geometry & MOs

Info

ID:

162618

PubChem CID:

57410756

Reduced:

ON6C30H30 (1)

Stoich.:

AB6C30D30 (1)

Weight, g/mol:

368.173607

ΔHf, kcal/mol:

132.28

Dipole, Da:

5.36

IP(EA), eV:

 -8.44(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1R,15R,16S)-7-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(CC3)N4CCN(CC4)C)C#CC5=CN=C6N5N=CC=C6

DOS

IR

Vibrations