Geometry & MOs

Info

ID:	135322
PubChem CID:	51851160
Reduced:	N4O4C13H16 (1)
Stoich.:	A4B4C13D16 (1)
Weight, g/mol:	291.10933
ΔH_f, kcal/mol:	-123.2
Dipole, Da:	3.46
IP(EA), eV:	-9.18(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1R,6S)-6-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)C(=O)N

DOS

IR

Vibrations