Geometry & MOs

Info

ID:	67324
PubChem CID:	46506277
Reduced:	FN3O3H18C20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	441.168856
ΔH_f, kcal/mol:	-121.2
Dipole, Da:	2.56
IP(EA), eV:	-8.91(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(4-phenoxyphenyl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)NCCC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations