Geometry & MOs

Info

ID:	391976
PubChem CID:	135011523
Reduced:	O3C19H20 (1)
Stoich.:	A3B19C20 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	-86.11
Dipole, Da:	2.74
IP(EA), eV:	-9.36(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,5aR)-5-methyl-N-phenyl-1,2,3,4,5,5a,6,7-octahydrocyclopenta[e][1,4]diazepine-8-carboxamide

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CC=C1)/[C@H](CC(=O)OCC2=CC=CC=C2)O

DOS

IR

Vibrations