Geometry & MOs

Info

ID:	445168
PubChem CID:	135264769
Reduced:	ON3H12C13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	212.069811
ΔH_f, kcal/mol:	94.22
Dipole, Da:	2.06
IP(EA), eV:	-8.58(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-(aminomethylidene)pyrazolo[5,1-b]quinazolin-9-one

Drug info:

PubChemData

Smile

CC(C)C1=C(N=C2C(=CNN2C1=O)C#N)/C(=C/N)/C=NCC3=CC=C(C=C3)OC4=CC=CC=C4

DOS

IR

Vibrations