Geometry & MOs

Info

ID:	448371
PubChem CID:	135290459
Reduced:	NO5H21C23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	448.140114
ΔH_f, kcal/mol:	-91.27
Dipole, Da:	4.66
IP(EA), eV:	-8.69(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[3-[2-[2-(dimethylamino)ethoxy]-3,4-dimethoxyphenyl]prop-2-enoylamino]benzoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC(=O)N2CCC(C3=CC=CC=C32)C(=O)O)OCC#C

DOS

IR

Vibrations