Geometry & MOs

Info

ID:	361158
PubChem CID:	127302102
Reduced:	N3O3C20H35 (1)
Stoich.:	A3B3C20D35 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-170.33
Dipole, Da:	5.35
IP(EA), eV:	-8.72(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-(4-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCCC(C1)C(=O)NCC2(CCOCC2)N3CCCCC3

DOS

IR

Vibrations