Geometry & MOs

Info

ID:	142944
PubChem CID:	53120630
Reduced:	N2O5C27H28 (1)
Stoich.:	A2B5C27D28 (1)
Weight, g/mol:	472.199822
ΔH_f, kcal/mol:	-140.23
Dipole, Da:	2.79
IP(EA), eV:	-9.02(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3-[(4-methoxyphenyl)methylcarbamoyl]-3-methyl-1-oxo-4H-isoquinolin-2-yl]benzoate

Drug info:

PubChemData

Smile

CC1(CC2=CC=CC=C2C(=O)N1C3=CC(=CC(=C3)OC)OC)C(=O)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations