Geometry & MOs

Info

ID:	358553
PubChem CID:	127296149
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	368.257612
ΔH_f, kcal/mol:	-72.94
Dipole, Da:	2.3
IP(EA), eV:	-9.12(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1CNC(=O)N(C)CC2CCCOC2

DOS

IR

Vibrations