Geometry & MOs

Info

ID:	237369
PubChem CID:	92718897
Reduced:	NOH8C9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	299.188529
ΔH_f, kcal/mol:	48.86
Dipole, Da:	5.17
IP(EA), eV:	-9.12(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-(3,4-diethoxyphenyl)-(2,5-dimethylphenyl)methanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)[N+](=O)[O-])[C@H](C2=CC3=CC=CC=C3C=C2)N

DOS

IR

Vibrations