Geometry & MOs

Info

ID:	448289
PubChem CID:	135289938
Reduced:	NO3C11H13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	455.184506
ΔH_f, kcal/mol:	-179.02
Dipole, Da:	4.45
IP(EA), eV:	-8.9(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]-N-(2-pyridin-4-ylethyl)benzamide

Drug info:

PubChemData

Smile

CN(C)CCOC1=C(C=CC(=C1OC)OC)C=CC(=O)NC2=CC=CC=C2C(=O)O

DOS

IR

Vibrations