Geometry & MOs

Info

ID:	361048
PubChem CID:	127301932
Reduced:	O3N4C14H24 (1)
Stoich.:	A3B4C14D24 (1)
Weight, g/mol:	357.241627
ΔH_f, kcal/mol:	-147.37
Dipole, Da:	2.05
IP(EA), eV:	-8.61(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepan-1-yl)-3-oxopropyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)N1CCCC(C1)CNC(=O)CN2CC(=O)NC2=O

DOS

IR

Vibrations