Geometry & MOs

Info

ID:	171888
PubChem CID:	75436960
Reduced:	ON5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	385.99901
ΔH_f, kcal/mol:	2.09
Dipole, Da:	5.48
IP(EA), eV:	-8.45(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)NC(=O)C2=C(N(N=C2)C3CCCC3)C)N(C)C

DOS

IR

Vibrations