Geometry & MOs

Info

ID:	73047
PubChem CID:	48416875
Reduced:	ClON4H11C13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	322.117824
ΔH_f, kcal/mol:	39.44
Dipole, Da:	3.53
IP(EA), eV:	-9.48(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[4-(4-oxoquinazolin-3-yl)butanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCC(=O)N2C(=C(C=N2)C#N)N)Cl

DOS

IR

Vibrations