Geometry & MOs

Info

ID:	156935
PubChem CID:	56394911
Reduced:	O4N6C21H22 (1)
Stoich.:	A4B6C21D22 (1)
Weight, g/mol:	418.175339
ΔH_f, kcal/mol:	-9.5
Dipole, Da:	8.8
IP(EA), eV:	-8.9(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[(E)-3-[4-methoxy-3-(5-methyltetrazol-1-yl)anilino]-3-oxoprop-1-enyl]benzamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)CCCOC3=C(C=C(C=C3)C#N)OC)OC

DOS

IR

Vibrations