Geometry & MOs

Info

ID:	371150
PubChem CID:	127342653
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-71.47
Dipole, Da:	5.48
IP(EA), eV:	-8.78(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)N3CCCC(C3)CN4C=NC=N4)O)C

DOS

IR

Vibrations