Geometry & MOs

Info

ID:	160617
PubChem CID:	57389228
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	326.149124
ΔH_f, kcal/mol:	-61.25
Dipole, Da:	8.83
IP(EA), eV:	-9.39(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-N-piperidin-4-yl-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)C2CC3=CC(=NC=C3O2)C4=C(C=NC=C4)C#N

DOS

IR

Vibrations