Geometry & MOs

Info

ID:	431161
PubChem CID:	135171231
Reduced:	OF2N3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-105.5
Dipole, Da:	0.76
IP(EA), eV:	-8.73(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-(oxan-3-yl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=C(C=C2)F)C(=O)C3=CC(=C(N3)C)/C=C/F

DOS

IR

Vibrations