Geometry & MOs

Info

ID:	338722
PubChem CID:	127259733
Reduced:	NSH25C28 (1)
Stoich.:	ABC25D28 (1)
Weight, g/mol:	351.256215
ΔH_f, kcal/mol:	102.21
Dipole, Da:	3.72
IP(EA), eV:	-8.02(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dibutyl-3-[(E)-2-[2-(methoxymethyl)phenyl]ethenyl]aniline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC=C(C=C3)S/C=C/C4=CC=CC=C4

DOS

IR

Vibrations