Geometry & MOs

Info

ID:	347219
PubChem CID:	127271760
Reduced:	ON5C23H33 (1)
Stoich.:	AB5C23D33 (1)
Weight, g/mol:	395.268511
ΔH_f, kcal/mol:	-7.69
Dipole, Da:	4.47
IP(EA), eV:	-8.39(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-3-cyclohexyl-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CN(N=C3C4CCCCC4)C

DOS

IR

Vibrations