Geometry & MOs

Info

ID:	168795
PubChem CID:	75020299
Reduced:	N3O3H17C18 (1)
Stoich.:	A3B3C17D18 (1)
Weight, g/mol:	367.251129
ΔH_f, kcal/mol:	-45.01
Dipole, Da:	6.01
IP(EA), eV:	-8.9(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bicyclo[2.2.1]heptanyl)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C(=O)C(C=N2)C(=O)NCC3=CC=C(C=C3)OC

DOS

IR

Vibrations