Geometry & MOs

Info

ID:	29678
PubChem CID:	836413
Reduced:	NCl2O2H13C15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	242.105528
ΔH_f, kcal/mol:	-54.72
Dipole, Da:	5.0
IP(EA), eV:	-9.07(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-nitrophenyl)methyl]-1-phenylmethanamine

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC2=CC=CC=C2

DOS

IR

Vibrations