Geometry & MOs

Info

ID:	67328
PubChem CID:	46506283
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	431.220892
ΔH_f, kcal/mol:	-118.69
Dipole, Da:	3.91
IP(EA), eV:	-9.0(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-2-(1-oxoisoquinolin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

DOS

IR

Vibrations