Geometry & MOs

Info

ID:	271141
PubChem CID:	103645136
Reduced:	N2C17H24 (1)
Stoich.:	A2B17C24 (1)
Weight, g/mol:	235.204848
ΔH_f, kcal/mol:	18.06
Dipole, Da:	5.67
IP(EA), eV:	-9.18(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-propan-2-ylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CC(C)C1CCCC(C1)NCC2=CC(=CC=C2)C#N

DOS

IR

Vibrations