Geometry & MOs

Info

ID:	237336
PubChem CID:	92718745
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	298.168128
ΔH_f, kcal/mol:	-22.75
Dipole, Da:	5.88
IP(EA), eV:	-8.65(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-(3,4-dimethyl-5-nitrophenyl)-(4-propan-2-ylphenyl)methanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations