Geometry & MOs

Info

ID:	429457
PubChem CID:	135169506
Reduced:	OBr2C25H26 (1)
Stoich.:	AB2C25D26 (1)
Weight, g/mol:	463.136843
ΔH_f, kcal/mol:	2.83
Dipole, Da:	2.0
IP(EA), eV:	-8.69(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-methyl-6-(triazol-2-yl)pyridin-3-yl]-1-naphthalen-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C)OC1=CC=C(C=C1)C(CC2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br

DOS

IR

Vibrations