Geometry & MOs

Info

ID:	247570
PubChem CID:	103072270
Reduced:	ClN3C13H22 (1)
Stoich.:	AB3C13D22 (1)
Weight, g/mol:	239.118925
ΔH_f, kcal/mol:	8.98
Dipole, Da:	2.85
IP(EA), eV:	-8.9(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]prop-2-enyl]cyclopropanamine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=C)CNC(C)(C)C)C)Cl

DOS

IR

Vibrations