Geometry & MOs

Info

ID:	336186
PubChem CID:	127255193
Reduced:	ON2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	375.179421
ΔH_f, kcal/mol:	17.44
Dipole, Da:	4.0
IP(EA), eV:	-8.23(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(3-oxopiperazin-1-yl)butane-1,4-dione

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CCNC(=O)C3=C(NN=C3)C4=CC=CC=C4OC

DOS

IR

Vibrations