Geometry & MOs

Info

ID:	156320
PubChem CID:	56370071
Reduced:	O3N4C23H32 (1)
Stoich.:	A3B4C23D32 (1)
Weight, g/mol:	331.262363
ΔH_f, kcal/mol:	-141.36
Dipole, Da:	2.91
IP(EA), eV:	-9.94(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cycloheptylpyrrolidin-3-yl)-1-prop-2-ynylpiperidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)CC(=O)NCC(=O)NCCC(=O)NCC4=CC=NC=C4

DOS

IR

Vibrations