Geometry & MOs

Info

ID:	359902
PubChem CID:	127299946
Reduced:	BrON4C17H27 (1)
Stoich.:	ABC4D17E27 (1)
Weight, g/mol:	396.15247
ΔH_f, kcal/mol:	-33.42
Dipole, Da:	1.62
IP(EA), eV:	-9.25(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)propanamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)CN2CCC(CC2)N3C=C(C=N3)Br

DOS

IR

Vibrations