Geometry & MOs

Info

ID:	324305
PubChem CID:	126677398
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	478.198298
ΔH_f, kcal/mol:	-95.47
Dipole, Da:	5.88
IP(EA), eV:	-8.85(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-amino-3-(3,4-dihydroxyphenyl)propanoyl]amino]-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

CC/C=C/N(CC1=CC=C(C=C1)OC)C(=O)[C@@H](C)OC

DOS

IR

Vibrations