Geometry & MOs

Info

ID:	245377
PubChem CID:	99444086
Reduced:	ON5H23C25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	384.12407
ΔH_f, kcal/mol:	85.34
Dipole, Da:	5.55
IP(EA), eV:	-9.4(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(1S)-1-(3-chlorophenyl)propyl]-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC3=C(C=NN3C(C)C)C(=C2)C(=O)NCC4=CC(=CC=C4)C#N

DOS

IR

Vibrations