Geometry & MOs

Info

ID:

299247

PubChem CID:

117682316

Reduced:

NOH28C33 (2)

Stoich.:

ABC28D33 (2)

Weight, g/mol:

273.157623

ΔHf, kcal/mol:

109.56

Dipole, Da:

0.69

IP(EA), eV:

 -7.72(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(7S,8S)-8-hydroxy-1,4-dioxaspiro[4.5]decan-7-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N(C2=C3C=CC4=C5C3=C(C=CC5=C(C=C4)N(C6=CC=CC7=C6OC8=C7C=CC=C8C9CCCC9)C1=C(C=CC(=C1)C)C)C=C2)C1=CC=CC2=C1OC1=C2C=CC=C1C1CCCC1

DOS

IR

Vibrations