Geometry & MOs

Info

ID:	362124
PubChem CID:	127305806
Reduced:	SN3O3C17H25 (1)
Stoich.:	AB3C3D17E25 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-146.42
Dipole, Da:	5.15
IP(EA), eV:	-8.91(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methyl-1-phenyltriazol-4-yl)-1-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(SC(=O)N1CC(=O)N2CCCC(C2)C(=O)N3CCCC3)C

DOS

IR

Vibrations