Geometry & MOs

Info

ID:	356904
PubChem CID:	127292512
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	-99.58
Dipole, Da:	4.17
IP(EA), eV:	-8.64(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)OC)C(C)NC(=O)N3CCN4CCCCC4C3

DOS

IR

Vibrations