Geometry & MOs

Info

ID:	201127
PubChem CID:	79491363
Reduced:	NC6H9 (3)
Stoich.:	AB6C9 (3)
Weight, g/mol:	272.127326
ΔH_f, kcal/mol:	26.48
Dipole, Da:	1.06
IP(EA), eV:	-8.88(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-methyl-3-(2-nitrophenyl)pyrazol-4-yl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C23CC4CC(C2)CC(C4)C3)CNC5CC5

DOS

IR

Vibrations