Geometry & MOs

Info

ID:	135320
PubChem CID:	51850931
Reduced:	N2O4C29H34 (1)
Stoich.:	A2B4C29D34 (1)
Weight, g/mol:	291.10933
ΔH_f, kcal/mol:	-123.61
Dipole, Da:	3.47
IP(EA), eV:	-8.77(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@H](C1=CC(=CC=C1)OC)N(C2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)OC

DOS

IR

Vibrations