Geometry & MOs

Info

ID:	297694
PubChem CID:	117625906
Reduced:	ON7C25H29 (1)
Stoich.:	AB7C25D29 (1)
Weight, g/mol:	505.189609
ΔH_f, kcal/mol:	47.47
Dipole, Da:	7.48
IP(EA), eV:	-8.89(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[7-(dimethylsulfamoylamino)-3,4-dihydro-1H-isoquinolin-2-yl]-6-(6-methoxypyridazin-3-yl)-8-methylquinazoline

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1N=CN=C2N3CCC4=C(C3)C=C(C=C4)NC(=O)C(C)(C)N)/C(=C/C=N)/N

DOS

IR

Vibrations