Geometry & MOs

Info

ID:	357594
PubChem CID:	127294267
Reduced:	ON7C21H31 (1)
Stoich.:	AB7C21D31 (1)
Weight, g/mol:	368.23246
ΔH_f, kcal/mol:	45.12
Dipole, Da:	6.98
IP(EA), eV:	-8.75(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N3CCN(CC3)CC4CCCCN4C

DOS

IR

Vibrations