Geometry & MOs

Info

ID:	364731
PubChem CID:	127316037
Reduced:	O3N6C19H28 (1)
Stoich.:	A3B6C19D28 (1)
Weight, g/mol:	368.207307
ΔH_f, kcal/mol:	-112.06
Dipole, Da:	3.77
IP(EA), eV:	-9.05(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations