Geometry & MOs

Info

ID:	187220
PubChem CID:	77545976
Reduced:	N3O5C27H31 (1)
Stoich.:	A3B5C27D31 (1)
Weight, g/mol:	369.241627
ΔH_f, kcal/mol:	-168.74
Dipole, Da:	9.07
IP(EA), eV:	-9.5(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-oxo-3,4-dihydroisoquinoline-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C(CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O)C#N)C(=O)C3CCCCN3

DOS

IR

Vibrations