Geometry & MOs

Info

ID:	216544
PubChem CID:	85086395
Reduced:	NO2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	279.183444
ΔH_f, kcal/mol:	-36.3
Dipole, Da:	3.23
IP(EA), eV:	-8.97(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-4-(hydroxymethyl)-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)C=CC2=CC=CC=C2)NC(=O)C

DOS

IR

Vibrations