Geometry & MOs

Info

ID:	362712
PubChem CID:	127309189
Reduced:	N3O3C17H29 (1)
Stoich.:	A3B3C17D29 (1)
Weight, g/mol:	307.200825
ΔH_f, kcal/mol:	-157.65
Dipole, Da:	6.32
IP(EA), eV:	-9.32(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-2-ylmethyl)-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

C1CCOC(C1)CNC(=O)N2CCCC(C2)C(=O)N3CCCC3

DOS

IR

Vibrations