Geometry & MOs

Info

ID:	336144
PubChem CID:	127255151
Reduced:	O2N3C26H31 (1)
Stoich.:	A2B3C26D31 (1)
Weight, g/mol:	379.119988
ΔH_f, kcal/mol:	-27.48
Dipole, Da:	7.64
IP(EA), eV:	-8.29(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-(1-methylindol-3-yl)ethyl]-5-(1,2,4-triazol-4-yl)benzamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CCNC(=O)CCCC3=CN(C4=CC=CC=C43)CCOC

DOS

IR

Vibrations