Geometry & MOs

Info

ID:	196485
PubChem CID:	78836798
Reduced:	ON6H24C25 (1)
Stoich.:	AB6C24D25 (1)
Weight, g/mol:	445.186238
ΔH_f, kcal/mol:	83.81
Dipole, Da:	5.9
IP(EA), eV:	-9.15(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C=NN(C2=N1)C(C)C)C(=O)NC(C3=CC=CC=C3)C4=CC5=C(C=C4)N=CN5

DOS

IR

Vibrations