Geometry & MOs

Info

ID:	361369
PubChem CID:	127302700
Reduced:	SN3O3C19H29 (1)
Stoich.:	AB3C3D19E29 (1)
Weight, g/mol:	354.216809
ΔH_f, kcal/mol:	-118.84
Dipole, Da:	2.16
IP(EA), eV:	-8.72(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclohexyl-1-methylpyrazol-4-yl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN(C)C(=O)CCN2CCN(CC2)C(=O)C3CCCO3

DOS

IR

Vibrations