Geometry & MOs

Info

ID:	448339
PubChem CID:	135290235
Reduced:	NO2C22H27 (1)
Stoich.:	AB2C22D27 (1)
Weight, g/mol:	332.116092
ΔH_f, kcal/mol:	-27.86
Dipole, Da:	2.74
IP(EA), eV:	-9.03(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-cyanophenyl)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(CO)C(N(CC1=CC=C(C=C1)C=C)CC2=CC=C(C=C2)C=C)O

DOS

IR

Vibrations