Geometry & MOs

Info

ID:	283265
PubChem CID:	103969102
Reduced:	ClNC13H24 (1)
Stoich.:	ABC13D24 (1)
Weight, g/mol:	255.150225
ΔH_f, kcal/mol:	-51.04
Dipole, Da:	2.73
IP(EA), eV:	-8.91(1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(1-methylpyrazol-4-yl)methanamine

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC2CCCC2)CCl

DOS

IR

Vibrations