Geometry & MOs

Info

ID:	157725
PubChem CID:	56436662
Reduced:	N7C19H25 (1)
Stoich.:	A7B19C25 (1)
Weight, g/mol:	400.145678
ΔH_f, kcal/mol:	103.44
Dipole, Da:	3.2
IP(EA), eV:	-8.99(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano-(3,4,5-trimethoxyphenyl)methyl]-4-propan-2-ylsulfanylbenzamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2=CN=CC=C2)CNCCC3=NN=C4N3CCCCC4

DOS

IR

Vibrations