Geometry & MOs

Info

ID:	60883
PubChem CID:	26702824
Reduced:	NO2H11C13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	445.108086
ΔH_f, kcal/mol:	-83.92
Dipole, Da:	5.47
IP(EA), eV:	-8.62(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-chlorobenzoyl)phenyl] 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate

Drug info:

PubChemData

Smile

CC(=O)N1C=CC2=CC=CC=C2[C@H]1CC(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations