Geometry & MOs

Info

ID:	364439
PubChem CID:	127315691
Reduced:	N2O2C17H24 (1)
Stoich.:	A2B2C17D24 (1)
Weight, g/mol:	255.11384
ΔH_f, kcal/mol:	-69.08
Dipole, Da:	4.77
IP(EA), eV:	-8.63(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-1H-pyrrol-2-yl)-(4,7-dimethyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2CC3=CC=CC=C3OC2)C

DOS

IR

Vibrations