Geometry & MOs

Info

ID:	448300
PubChem CID:	135289994
Reduced:	N3O5C26H27 (1)
Stoich.:	A3B5C26D27 (1)
Weight, g/mol:	418.138953
ΔH_f, kcal/mol:	-51.02
Dipole, Da:	4.74
IP(EA), eV:	-8.86(-1.07)
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-(2H-tetrazol-5-yl)benzamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1OCCN2CCOCC2)/C=C/C(=O)NC3=CC=CC=C3C#N)OCC#C

DOS

IR

Vibrations