Geometry & MOs

Info

ID:	338731
PubChem CID:	127259742
Reduced:	N2H22C23 (1)
Stoich.:	A2B22C23 (1)
Weight, g/mol:	548.434179
ΔH_f, kcal/mol:	86.21
Dipole, Da:	0.97
IP(EA), eV:	-7.75(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-docosyl-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)/C=C/N(C)C3=CC=CC=C3)C4=CC=CC=C41

DOS

IR

Vibrations