Geometry & MOs

Info

ID:	247363
PubChem CID:	103070494
Reduced:	N2C5H9 (2)
Stoich.:	A2B5C9 (2)
Weight, g/mol:	209.189198
ΔH_f, kcal/mol:	42.03
Dipole, Da:	2.89
IP(EA), eV:	-8.99(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)prop-2-en-1-amine

Drug info:

PubChemData

Smile

CN1C=CN=C1CN(C)CC(=C)CN

DOS

IR

Vibrations