Geometry & MOs

Info

ID:	358446
PubChem CID:	127296014
Reduced:	ON3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	354.241962
ΔH_f, kcal/mol:	-65.12
Dipole, Da:	3.78
IP(EA), eV:	-8.61(1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)N1CCCCC(C1)N2CCCC2

DOS

IR

Vibrations