Geometry & MOs

Info

ID:	243380
PubChem CID:	99222733
Reduced:	NO2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	380.209993
ΔH_f, kcal/mol:	-133.37
Dipole, Da:	0.84
IP(EA), eV:	-8.66(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-amino-2-oxoethyl)-3-(3-methoxyphenyl)-N-[(1R)-1-(4-propylphenyl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)[C@H](C)N(CC(=O)N)C(=O)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations