Geometry & MOs

Info

ID:	367592
PubChem CID:	127325081
Reduced:	O3N5C16H25 (1)
Stoich.:	A3B5C16D25 (1)
Weight, g/mol:	384.190989
ΔH_f, kcal/mol:	-96.12
Dipole, Da:	4.0
IP(EA), eV:	-9.04(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-morpholin-4-yl-1-[4-[3-(1,2,4-triazol-1-yl)benzoyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1C(=O)N2CCN(CC2)C(=O)CN3CCOCC3)C

DOS

IR

Vibrations