Geometry & MOs

Info

ID:	67335
PubChem CID:	46506297
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	448.247441
ΔH_f, kcal/mol:	-118.7
Dipole, Da:	4.75
IP(EA), eV:	-9.06(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(N-ethyl-3-methylanilino)propyl]-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide

Drug info:

PubChemData

Smile

CCCCN(C)C(=O)CCNC(=O)CN1C=CC2=CC=CC=C2C1=O

DOS

IR

Vibrations