Geometry & MOs

Info

ID:	358518
PubChem CID:	127296114
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	372.23254
ΔH_f, kcal/mol:	-119.63
Dipole, Da:	5.86
IP(EA), eV:	-8.48(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(CCC1=CC2=C(C=C1)OCO2)NC(=O)N3CCCCC(C3)N4CCCC4

DOS

IR

Vibrations