Geometry & MOs

Info

ID:	67340
PubChem CID:	46506307
Reduced:	N3O5C26H31 (1)
Stoich.:	A3B5C26D31 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-175.4
Dipole, Da:	6.15
IP(EA), eV:	-8.3(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CCNC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O)OCC

DOS

IR

Vibrations