Geometry & MOs

Info

ID:	362582
PubChem CID:	127308314
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	341.087036
ΔH_f, kcal/mol:	-3.22
Dipole, Da:	8.85
IP(EA), eV:	-8.9(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC2=CC=C(C=C2)C#N)NC(=O)N3CCN4CCCC4C3

DOS

IR

Vibrations