Geometry & MOs

Info

ID:	204566
PubChem CID:	79983650
Reduced:	ClNH10C11 (1)
Stoich.:	ABC10D11 (1)
Weight, g/mol:	339.02324
ΔH_f, kcal/mol:	57.09
Dipole, Da:	3.9
IP(EA), eV:	-9.87(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-cyclopropylphenyl)methyl]-4-iodopyrazol-3-amine

Drug info:

PubChemData

Smile

C1CC1C2=CC=CC=C2C(C#N)Cl

DOS

IR

Vibrations