Geometry & MOs

Info

ID:	296972
PubChem CID:	117603597
Reduced:	NO2C6H9 (1)
Stoich.:	AB2C6D9 (1)
Weight, g/mol:	543.241645
ΔH_f, kcal/mol:	-41.39
Dipole, Da:	3.52
IP(EA), eV:	-9.57(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dimethyl-2-(8-methyl-6-pyridazin-3-ylquinazolin-4-yl)-N-piperidin-4-yl-3,4-dihydro-1H-isoquinoline-7-sulfonamide

Drug info:

PubChemData

Smile

C1CC(C=C1)C(=O)NO

DOS

IR

Vibrations