Geometry & MOs

Info

ID:	62023
PubChem CID:	26717093
Reduced:	NO4C24H25 (1)
Stoich.:	AB4C24D25 (1)
Weight, g/mol:	391.178358
ΔH_f, kcal/mol:	-88.28
Dipole, Da:	5.73
IP(EA), eV:	-8.36(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(1R)-1-naphthalen-2-ylethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=CC=CC=C2C=C1)NC(=O)/C=C/C3=CC(=C(C=C3OC)OC)OC

DOS

IR

Vibrations