Geometry & MOs

Info

ID:	123441
PubChem CID:	50847561
Reduced:	FO2N3C26H32 (1)
Stoich.:	AB2C3D26E32 (1)
Weight, g/mol:	447.288577
ΔH_f, kcal/mol:	-109.6
Dipole, Da:	6.12
IP(EA), eV:	-8.94(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-ethylphenyl)ethyl]-2-[1-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2C3=CC=CC=C3CCN2CC(=O)NC(C)C4=CC=C(C=C4)F

DOS

IR

Vibrations