Geometry & MOs

Info

ID:	170258
PubChem CID:	75213732
Reduced:	N2O3H22C23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	386.163043
ΔH_f, kcal/mol:	-40.15
Dipole, Da:	6.22
IP(EA), eV:	-9.36(-1.28)
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] 3-quinolin-2-ylprop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)C=CC2=NC3=CC=CC=C3C=C2

DOS

IR

Vibrations