Geometry & MOs

Info

ID:	193727
PubChem CID:	78430465
Reduced:	O3N5C19H22 (1)
Stoich.:	A3B5C19D22 (1)
Weight, g/mol:	320.139902
ΔH_f, kcal/mol:	-73.69
Dipole, Da:	3.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.128060
Charge, e:	-1

Chem-info

IUPAC name:

4-(2,7-dimethyl-1,2,3,5-tetrahydropyrazolo[1,5-c]quinazolin-5-yl)benzoate

Drug info:

PubChemData

Smile

CCN1C(=C(C=C2C1=NC3=CC=CC=[N+]3C2=O)C(=O)NCC4CCCO4)N

DOS

IR

Vibrations