Geometry & MOs

Info

ID:	352580
PubChem CID:	127283668
Reduced:	ON4C15H24 (1)
Stoich.:	AB4C15D24 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-23.62
Dipole, Da:	7.81
IP(EA), eV:	-9.09(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1(CCCC1)C(=O)N2CCC(CC2)C3=NN=CN3C

DOS

IR

Vibrations