Geometry & MOs

Info

ID:	173845
PubChem CID:	75690404
Reduced:	SN2O2C13H26 (1)
Stoich.:	AB2C2D13E26 (1)
Weight, g/mol:	321.184112
ΔH_f, kcal/mol:	-117.58
Dipole, Da:	3.76
IP(EA), eV:	-8.74(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-anilino-3-methylbutyl)-1H-indole-6-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CCCNC(=O)C(C)SC

DOS

IR

Vibrations