Geometry & MOs

Info

ID:	237349
PubChem CID:	92718829
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	300.147393
ΔH_f, kcal/mol:	17.1
Dipole, Da:	5.42
IP(EA), eV:	-9.23(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-(2,3-dimethyl-5-nitrophenyl)-(4-ethoxyphenyl)methanamine

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)[N+](=O)[O-])[C@H](C2=CC3=C(CCC3)C=C2)N

DOS

IR

Vibrations