Geometry & MOs

Info

ID:	351450
PubChem CID:	127280338
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	396.227374
ΔH_f, kcal/mol:	-115.64
Dipole, Da:	4.69
IP(EA), eV:	-9.13(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methyl-1-phenyltriazol-4-yl)-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2(CCOCC2)C(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations