Geometry & MOs

Info

ID:	73317
PubChem CID:	48417414
Reduced:	ClO2N5H12C15 (1)
Stoich.:	AB2C5D12E15 (1)
Weight, g/mol:	348.098918
ΔH_f, kcal/mol:	11.99
Dipole, Da:	1.3
IP(EA), eV:	-9.12(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(3-chloro-5-ethoxy-4-propoxybenzoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1C(CN(C1=O)C2=CC=CC=C2Cl)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations