Geometry & MOs

Info

ID:	360375
PubChem CID:	127301020
Reduced:	O3N7C17H19 (1)
Stoich.:	A3B7C17D19 (1)
Weight, g/mol:	360.227374
ΔH_f, kcal/mol:	-43.88
Dipole, Da:	1.99
IP(EA), eV:	-9.91(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=N2)C(=O)N3CCCC(C3)N4C=NC=N4)C(=O)N(C1=O)C

DOS

IR

Vibrations