Geometry & MOs

Info

ID:	67334
PubChem CID:	46506296
Reduced:	N3O5H19C21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-140.19
Dipole, Da:	5.26
IP(EA), eV:	-8.42(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)NC(=O)CCNC(=O)CN3C=CC4=CC=CC=C4C3=O

DOS

IR

Vibrations