Geometry & MOs

Info

ID:	361380
PubChem CID:	127303246
Reduced:	O3N7C18H19 (1)
Stoich.:	A3B7C18D19 (1)
Weight, g/mol:	384.171689
ΔH_f, kcal/mol:	-20.05
Dipole, Da:	4.76
IP(EA), eV:	-9.86(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=N2)C(=O)N3CCN4C(=NN=C4C5CC5)C3)C(=O)N(C1=O)C

DOS

IR

Vibrations