Geometry & MOs

Info

ID:	360383
PubChem CID:	127301028
Reduced:	O3N6C17H24 (1)
Stoich.:	A3B6C17D24 (1)
Weight, g/mol:	389.152161
ΔH_f, kcal/mol:	-95.6
Dipole, Da:	3.32
IP(EA), eV:	-9.67(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-pyrrolidin-1-ylsulfonylphenyl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC(C1)N2C=NC=N2)N3C(=O)C4(CCCC4)NC3=O

DOS

IR

Vibrations