Geometry & MOs

Info

ID:	272774
PubChem CID:	103756561
Reduced:	ClON2C11H17 (1)
Stoich.:	ABC2D11E17 (1)
Weight, g/mol:	251.118925
ΔH_f, kcal/mol:	-35.93
Dipole, Da:	6.55
IP(EA), eV:	-9.18(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloropyridin-4-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine

Drug info:

PubChemData

Smile

CCCCOCCNC1=CC(=NC=C1)Cl

DOS

IR

Vibrations