Geometry & MOs

Info

ID:	362427
PubChem CID:	127307773
Reduced:	ON2C9H15 (2)
Stoich.:	AB2C9D15 (2)
Weight, g/mol:	397.272927
ΔH_f, kcal/mol:	-95.33
Dipole, Da:	2.15
IP(EA), eV:	-8.64(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-N-[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NC=C(N1)C(=O)NCC2(CCCCC2)N3CCOC(C3)(C)C

DOS

IR

Vibrations