Geometry & MOs

Info

ID:	194453
PubChem CID:	78539252
Reduced:	N2O8H18C19 (1)
Stoich.:	A2B8C18D19 (1)
Weight, g/mol:	384.132136
ΔH_f, kcal/mol:	-188.57
Dipole, Da:	5.55
IP(EA), eV:	-9.02(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations