Geometry & MOs

Info

ID:	266519
PubChem CID:	103568501
Reduced:	ClNO3H6C9 (1)
Stoich.:	ABC3D6E9 (1)
Weight, g/mol:	236.200097
ΔH_f, kcal/mol:	-66.82
Dipole, Da:	4.45
IP(EA), eV:	-9.82(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-1-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C#N)OC(=O)Cl

DOS

IR

Vibrations