Geometry & MOs

Info

ID:	343406
PubChem CID:	127266579
Reduced:	FO2N4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	347.220892
ΔH_f, kcal/mol:	-97.27
Dipole, Da:	3.56
IP(EA), eV:	-9.12(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(butylcarbamoyl)cycloheptyl]-1-methyl-2-oxopyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)(C1=NC(=O)C2=C(N1)CCCC2)NC(=O)C3=CN=C(C=C3)F

DOS

IR

Vibrations