Geometry & MOs

Info

ID:	206062
PubChem CID:	80195348
Reduced:	N2O3C11H18 (1)
Stoich.:	A2B3C11D18 (1)
Weight, g/mol:	202.146999
ΔH_f, kcal/mol:	-124.88
Dipole, Da:	3.65
IP(EA), eV:	-9.46(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-6,7,7a,8,9,10-hexahydro-5H-pyrrolo[1,2-a][1,5]benzodiazepine

Drug info:

PubChemData

Smile

CC1CN(CC1C(=O)OC)C(=O)NC2CC2

DOS

IR

Vibrations