Geometry & MOs

Info

ID:	14805
PubChem CID:	420976
Reduced:	IN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	368.00217
ΔH_f, kcal/mol:	62.29
Dipole, Da:	5.6
IP(EA), eV:	-9.32(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-iodo-5-nitrophenyl)methyl]-1-phenylmethanamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNCC2=C(C=CC(=C2)[N+](=O)[O-])I

DOS

IR

Vibrations