Geometry & MOs

Info

ID:	165139
PubChem CID:	74504519
Reduced:	ClNO5C22H26 (1)
Stoich.:	ABC5D22E26 (1)
Weight, g/mol:	399.03309
ΔH_f, kcal/mol:	-160.02
Dipole, Da:	3.71
IP(EA), eV:	-8.17(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-2-methoxyphenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)COC1=C(C=C(C=C1Cl)C=CC(=O)NC2=C(C=CC(=C2)OC)OC)OC

DOS

IR

Vibrations