Geometry & MOs

Info

ID:	255529
PubChem CID:	103132751
Reduced:	SO3C10H18 (1)
Stoich.:	AB3C10D18 (1)
Weight, g/mol:	261.220498
ΔH_f, kcal/mol:	-164.65
Dipole, Da:	3.75
IP(EA), eV:	-9.41(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4,4-dimethyl-2-(1-methylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CSC(C)(C)C(=O)O

DOS

IR

Vibrations