Geometry & MOs

Info

ID:	178211
PubChem CID:	76295406
Reduced:	ClO2N4C23H27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	350.163043
ΔH_f, kcal/mol:	-55.77
Dipole, Da:	4.87
IP(EA), eV:	-9.27(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(cyanomethoxy)phenyl]-N-[2-(3,5-dimethylphenoxy)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(N1)C2=CN=CC=C2)CC(=O)N3CCCC3CC4=CC=CC=C4Cl

DOS

IR

Vibrations