Geometry & MOs

Info

ID:	353161
PubChem CID:	127284341
Reduced:	SN3O4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	252.183778
ΔH_f, kcal/mol:	-152.88
Dipole, Da:	4.35
IP(EA), eV:	-9.65(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cycloheptanecarbonyl)-N-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CCCN1C(=O)C2=CC=CC(=C2)CN3CCS(=O)(=O)CC3

DOS

IR

Vibrations