Geometry & MOs

Info

ID:	355433
PubChem CID:	127288496
Reduced:	OSN5C17H19 (1)
Stoich.:	ABC5D17E19 (1)
Weight, g/mol:	342.180424
ΔH_f, kcal/mol:	37.36
Dipole, Da:	4.15
IP(EA), eV:	-9.06(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylphenyl)-3-[2-oxo-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethyl]urea

Drug info:

PubChemData

Smile

CC1=C2C(=C(SC2=NC=C1)C(=O)N3CCCC(C3)N4C=NC=N4)C

DOS

IR

Vibrations