Geometry & MOs

Info

ID:	160672
PubChem CID:	57389394
Reduced:	SN3O5C23H33 (1)
Stoich.:	AB3C5D23E33 (1)
Weight, g/mol:	283.14331
ΔH_f, kcal/mol:	-203.93
Dipole, Da:	7.04
IP(EA), eV:	-9.19(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-8-methylpyrazolo[4,3-h]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)C2CC3=CC(=NC=C3O2)C4=CCN(CC4)S(=O)(=O)C

DOS

IR

Vibrations