Geometry & MOs

Info

ID:	73230
PubChem CID:	48417244
Reduced:	ON2H7C9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	308.102174
ΔH_f, kcal/mol:	47.77
Dipole, Da:	7.49
IP(EA), eV:	-9.24(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(4-oxo-1H-quinazolin-2-yl)propanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations