Geometry & MOs

Info

ID:	360993
PubChem CID:	127301853
Reduced:	O3N5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	355.225977
ΔH_f, kcal/mol:	-60.84
Dipole, Da:	5.32
IP(EA), eV:	-8.9(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC(CC2)NC(=O)CCN3C(=O)N4C=CC=CC4=N3

DOS

IR

Vibrations