Geometry & MOs

Info

ID:	370350
PubChem CID:	127338189
Reduced:	O3N5C19H33 (1)
Stoich.:	A3B5C19D33 (1)
Weight, g/mol:	391.233188
ΔH_f, kcal/mol:	-149.65
Dipole, Da:	8.44
IP(EA), eV:	-8.71(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)CCNC(=O)N2CCN(CC2)C3CCCC3

DOS

IR

Vibrations