Geometry & MOs

Info

ID:	157985
PubChem CID:	56459374
Reduced:	N4O5C25H28 (1)
Stoich.:	A4B5C25D28 (1)
Weight, g/mol:	413.304228
ΔH_f, kcal/mol:	-130.64
Dipole, Da:	2.61
IP(EA), eV:	-8.22(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(C1)C(=O)N2CCCC2C(=O)NC3=CC=C(C=C3)OC)C4=CC=CC=C4

DOS

IR

Vibrations