Geometry & MOs

Info

ID:	166330
PubChem CID:	74671349
Reduced:	ON4H20C23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	393.132471
ΔH_f, kcal/mol:	105.92
Dipole, Da:	2.94
IP(EA), eV:	-9.25(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-cyclopropyl-3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN(C=C2C=C(C#N)C(=O)NC3CC3)C4=CC=CC=C4

DOS

IR

Vibrations