Geometry & MOs

Info

ID:	335593
PubChem CID:	127254455
Reduced:	ON4C21H24 (1)
Stoich.:	AB4C21D24 (1)
Weight, g/mol:	407.151288
ΔH_f, kcal/mol:	19.3
Dipole, Da:	0.6
IP(EA), eV:	-8.8(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN1C2=CC=CC=C2N=C1[C@@H]3CCCN3C(=O)C4=CN=CC=C4

DOS

IR

Vibrations