Geometry & MOs

Info

ID:	178608
PubChem CID:	76356147
Reduced:	O3N6C19H20 (1)
Stoich.:	A3B6C19D20 (1)
Weight, g/mol:	409.179027
ΔH_f, kcal/mol:	4.39
Dipole, Da:	10.79
IP(EA), eV:	-9.18(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-cyanophenyl)methyl]-N-prop-2-enyl-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C=CC2=CC=CO2)N3C(=NN=N3)C

DOS

IR

Vibrations