Geometry & MOs

Info

ID:	361343
PubChem CID:	127302538
Reduced:	ON5C19H29 (1)
Stoich.:	AB5C19D29 (1)
Weight, g/mol:	337.136117
ΔH_f, kcal/mol:	-8.89
Dipole, Da:	3.61
IP(EA), eV:	-8.74(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-4-methyl-6-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CC2)N3CCN(CC3)CC(=O)N4CCCCC4

DOS

IR

Vibrations