Geometry & MOs

Info

ID:	297695
PubChem CID:	117625994
Reduced:	SO3N7C25H27 (1)
Stoich.:	AB3C7D25E27 (1)
Weight, g/mol:	465.216475
ΔH_f, kcal/mol:	13.09
Dipole, Da:	4.07
IP(EA), eV:	-8.43(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(8-methyl-6-pyridin-3-ylquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-7-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1N=CN=C2N3CCC4=C(C3)C=C(C=C4)NS(=O)(=O)N(C)C)C5=NN=C(C=C5)OC

DOS

IR

Vibrations