Geometry & MOs

Info

ID:	359844
PubChem CID:	127299888
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	362.243024
ΔH_f, kcal/mol:	-91.13
Dipole, Da:	5.33
IP(EA), eV:	-8.71(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)NC2CCN(CC2)C3CCN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations