Geometry & MOs

Info

ID:	430956
PubChem CID:	135171026
Reduced:	ON5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	46.93
Dipole, Da:	5.2
IP(EA), eV:	-8.73(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(benzylamino)oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCC=C(C1)NCC2=CN=CN=C2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations