Geometry & MOs

Info

ID:	420243
PubChem CID:	135112023
Reduced:	ClN4C11H17 (1)
Stoich.:	AB4C11D17 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	17.71
Dipole, Da:	2.35
IP(EA), eV:	-8.95(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCC1CN(CCN1)C2=NC(=NC=C2Cl)C

DOS

IR

Vibrations