Geometry & MOs

Info

ID:	268457
PubChem CID:	103599458
Reduced:	N3O3C24H25 (1)
Stoich.:	A3B3C24D25 (1)
Weight, g/mol:	440.159689
ΔH_f, kcal/mol:	-25.19
Dipole, Da:	7.45
IP(EA), eV:	-8.45(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CN(C)C(=O)C(=CC2=CC=CO2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations