Geometry & MOs

Info

ID:	142225
PubChem CID:	53003099
Reduced:	SN2O3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	245.116427
ΔH_f, kcal/mol:	-77.19
Dipole, Da:	2.21
IP(EA), eV:	-8.55(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC1=CC2=C(CCN2C(=O)C3=CC=CC=C3)C=C1

DOS

IR

Vibrations