Geometry & MOs

Info

ID:	338724
PubChem CID:	127259735
Reduced:	NC20H23 (1)
Stoich.:	AB20C23 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	68.72
Dipole, Da:	1.86
IP(EA), eV:	-7.92(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[(1E,3E)-4-nitrobuta-1,3-dienyl]aniline

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)/C=C/C(CC=C)C2=CC=CC=C2

DOS

IR

Vibrations