Geometry & MOs

Info

ID:	128315
PubChem CID:	51038819
Reduced:	N3O4C18H24 (2)
Stoich.:	A3B4C18D24 (2)
Weight, g/mol:	391.110788
ΔH_f, kcal/mol:	-334.6
Dipole, Da:	12.55
IP(EA), eV:	-9.02(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-difluorophenyl)-5-[2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-1H-indole

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)N1CC[C@H](C1)C(=O)NC2=CC=C(C=C2)C3=CC=C(C=C3)NC(=O)[C@H]4CCN(C4)C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations