Geometry & MOs

Info

ID:	223569
PubChem CID:	85335250
Reduced:	NO3C28H35 (1)
Stoich.:	AB3C28D35 (1)
Weight, g/mol:	439.269573
ΔH_f, kcal/mol:	-78.85
Dipole, Da:	3.61
IP(EA), eV:	-9.21(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[3-(diethylamino)propoxy]pyridin-3-yl]-2-methyl-6,6a,7,8,9,9a-hexahydro-5H-pyrazolo[3,4-h]quinazoline-9-carboxamide

Drug info:

PubChemData

Smile

CC=C(C)CONC(=O)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2C)C(CCC3(C)C)(C)C

DOS

IR

Vibrations