Geometry & MOs

Info

ID:	129924
PubChem CID:	51074285
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	-59.28
Dipole, Da:	4.53
IP(EA), eV:	-9.18(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopentyl(methyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN(C)C3CCCC3

DOS

IR

Vibrations