Geometry & MOs

Info

ID:	366871
PubChem CID:	127321773
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	254.118591
ΔH_f, kcal/mol:	-110.64
Dipole, Da:	4.96
IP(EA), eV:	-9.04(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-1-methylpyrrol-2-yl)-(2-methylazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCCCCN1C(=O)C2=CC3=C(C=C2)NC(=O)CO3

DOS

IR

Vibrations