Geometry & MOs

Info

ID:	237335
PubChem CID:	92718743
Reduced:	N2O3C17H18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	300.147393
ΔH_f, kcal/mol:	-14.34
Dipole, Da:	6.24
IP(EA), eV:	-9.13(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-(3,4-dimethyl-5-nitrophenyl)-(3-methoxy-4-methylphenyl)methanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)[N+](=O)[O-])[C@H]([C@H]2CC3=CC=CC=C3O2)N

DOS

IR

Vibrations