Geometry & MOs

Info

ID:	335552
PubChem CID:	127254414
Reduced:	SN3O3C25H31 (1)
Stoich.:	AB3C3D25E31 (1)
Weight, g/mol:	284.116092
ΔH_f, kcal/mol:	-75.1
Dipole, Da:	3.73
IP(EA), eV:	-8.38(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methoxy-1H-pyridin-4-one

Drug info:

PubChemData

Smile

CC(C)C(C1=CC(=C(C=C1)OC)OC)NC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations