Geometry & MOs

Info

ID:	264500
PubChem CID:	103464714
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	343.01816
ΔH_f, kcal/mol:	-53.25
Dipole, Da:	7.13
IP(EA), eV:	-9.08(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodo-2-(2-methoxy-1-phenylethyl)pyrazol-3-amine

Drug info:

PubChemData

Smile

CCC(C)(C)CNC(=O)C1=C(C(=CC=C1)NC)[N+](=O)[O-]

DOS

IR

Vibrations