Geometry & MOs

Info

ID:	343891
PubChem CID:	127267067
Reduced:	SN3O3C17H23 (1)
Stoich.:	AB3C3D17E23 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	-63.46
Dipole, Da:	4.52
IP(EA), eV:	-8.42(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,3-dimethyl-2-oxobutyl)-N,N-dimethyl-1-oxoisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=CC=CC=C2NCC3=CC=C(O3)S(=O)(=O)N

DOS

IR

Vibrations