Geometry & MOs

Info

ID:	374546
PubChem CID:	131331389
Reduced:	N3C13H17 (1)
Stoich.:	A3B13C17 (1)
Weight, g/mol:	227.118925
ΔH_f, kcal/mol:	44.37
Dipole, Da:	3.64
IP(EA), eV:	-8.97(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2-methylpyrazol-3-yl)-4-methylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C)(C2=NC=CN2C)N

DOS

IR

Vibrations