Geometry & MOs

Info

ID:	196562
PubChem CID:	78848646
Reduced:	ON4C19H26 (1)
Stoich.:	AB4C19D26 (1)
Weight, g/mol:	364.0718
ΔH_f, kcal/mol:	-0.67
Dipole, Da:	1.41
IP(EA), eV:	-8.39(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)pyrimidine

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CN2CCN(CC2)C3=NC(=CC(=N3)C)C

DOS

IR

Vibrations