Geometry & MOs

Info

ID:	59522
PubChem CID:	24875240
Reduced:	ON4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	304.132411
ΔH_f, kcal/mol:	33.87
Dipole, Da:	9.28
IP(EA), eV:	-9.07(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNCCC1CC2=CC3=NC(=O)C4=CC=CC=C4N3N2

DOS

IR

Vibrations