Geometry & MOs

Info

ID:	252859
PubChem CID:	103114661
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	396.03347
ΔH_f, kcal/mol:	21.86
Dipole, Da:	3.79
IP(EA), eV:	-8.81(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-iodophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1CC(CN1C2CC2)NCC3=C(C(=CC=C3)[N+](=O)[O-])C

DOS

IR

Vibrations