Geometry & MOs

Info

ID:	74079
PubChem CID:	48421433
Reduced:	ClO3N4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-55.28
Dipole, Da:	10.13
IP(EA), eV:	-8.86(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethylpyrrolidin-1-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(N1C2CCCN(C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C

DOS

IR

Vibrations