Geometry & MOs

Info

ID:	322552
PubChem CID:	126670491
Reduced:	NO4C24H31 (1)
Stoich.:	AB4C24D31 (1)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	-185.39
Dipole, Da:	0.77
IP(EA), eV:	-9.26(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethylphenyl)methyl]-1-(4-nitrophenyl)ethenamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations