Geometry & MOs

Info

ID:	67338
PubChem CID:	46506301
Reduced:	O3N4C23H32 (1)
Stoich.:	A3B4C23D32 (1)
Weight, g/mol:	426.263091
ΔH_f, kcal/mol:	-119.5
Dipole, Da:	6.95
IP(EA), eV:	-8.45(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCN(CC1)CCCNC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

DOS

IR

Vibrations