Geometry & MOs

Info

ID:	282241
PubChem CID:	103919985
Reduced:	SN2O3C10H16 (1)
Stoich.:	AB2C3D10E16 (1)
Weight, g/mol:	225.147727
ΔH_f, kcal/mol:	-139.66
Dipole, Da:	3.13
IP(EA), eV:	-9.15(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N-[(2R)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](CO)NC(=O)CN1C(=CSC1=O)C

DOS

IR

Vibrations