Geometry & MOs

Info

ID:	61944
PubChem CID:	26716107
Reduced:	ClNO3C22H26 (1)
Stoich.:	ABC3D22E26 (1)
Weight, g/mol:	387.160121
ΔH_f, kcal/mol:	-85.19
Dipole, Da:	5.78
IP(EA), eV:	-8.98(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-N-methyl-N-[(1R)-1-phenylethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N(C)C(=O)/C=C/C2=CC(=C(C(=C2)Cl)OC(C)C)OC

DOS

IR

Vibrations