Geometry & MOs

Info

ID:	285814
PubChem CID:	104133902
Reduced:	ClN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	308.165541
ΔH_f, kcal/mol:	-90.38
Dipole, Da:	4.25
IP(EA), eV:	-9.59(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-cycloheptyl-N-methyl-6-propylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1COCCN1C(=O)C2=CC(=NC(=C2)Cl)C(C)(C)C

DOS

IR

Vibrations