Geometry & MOs

Info

ID:	237368
PubChem CID:	92718895
Reduced:	NOH8C9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	292.121178
ΔH_f, kcal/mol:	50.97
Dipole, Da:	7.51
IP(EA), eV:	-9.2(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-(3-methyl-5-nitrophenyl)-naphthalen-2-ylmethanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)[N+](=O)[O-])[C@H](C2=CC=CC3=CC=CC=C32)N

DOS

IR

Vibrations