Geometry & MOs

Info

ID:	221056
PubChem CID:	85256684
Reduced:	N3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	269.112404
ΔH_f, kcal/mol:	-56.36
Dipole, Da:	6.12
IP(EA), eV:	-9.83(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1-carbamoyl-3-methyl-5-oxopyrazol-4-ylidene)amino]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C(=O)NNC1C2=CC=CC=C2)C#N

DOS

IR

Vibrations