Geometry & MOs

Info

ID:	59457
PubChem CID:	24874940
Reduced:	O4N5C29H31 (1)
Stoich.:	A4B5C29D31 (1)
Weight, g/mol:	347.17461
ΔH_f, kcal/mol:	-76.7
Dipole, Da:	3.73
IP(EA), eV:	-8.73(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-(dimethylamino)ethylamino]phenyl]-1H-pyrazolo[1,5-a]quinazolin-5-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(=O)NC(CC2=CC=C(C=C2)N3C=C(C=N3)CNC4=NC=CC(=C4)OC)C(=O)O)C

DOS

IR

Vibrations