Geometry & MOs

Info

ID:	64631
PubChem CID:	29203552
Reduced:	OCl2N3H13C17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	29.9
Dipole, Da:	4.28
IP(EA), eV:	-9.1(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-cyanophenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propanamide

Drug info:

PubChemData

Smile

CC1=CC=NN1C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations