Geometry & MOs

Info

ID:	353460
PubChem CID:	127285019
Reduced:	ClO2N4C20H25 (1)
Stoich.:	AB2C4D20E25 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	-32.89
Dipole, Da:	6.35
IP(EA), eV:	-8.82(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C2(CCOCC2)CNC(=O)C3=CN(N=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations