Geometry & MOs

Info

ID:	307997
PubChem CID:	125311182
Reduced:	N4O4C9H14 (1)
Stoich.:	A4B4C9D14 (1)
Weight, g/mol:	387.179421
ΔH_f, kcal/mol:	-157.79
Dipole, Da:	6.7
IP(EA), eV:	-10.01(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-[5-(2,4-dimethoxyphenyl)-4H-pyrazole-3-carbonyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N(C)[C@H]1C(=O)NC(=O)N=C1NC

DOS

IR

Vibrations