Geometry & MOs

Info

ID:	357380
PubChem CID:	127294013
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	395.268511
ΔH_f, kcal/mol:	-87.56
Dipole, Da:	4.41
IP(EA), eV:	-8.41(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-3-cyclohexyl-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=NC=CC(=C2)CNC(=O)C3CC(=O)N(C3)C4CCCC4

DOS

IR

Vibrations