Geometry & MOs

Info

ID:	308502
PubChem CID:	125333275
Reduced:	N5O5C14H15 (1)
Stoich.:	A5B5C14D15 (1)
Weight, g/mol:	362.195405
ΔH_f, kcal/mol:	-95.91
Dipole, Da:	4.05
IP(EA), eV:	-8.31(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(6R)-3-oxo-5,6,7,8-tetrahydro-4H-cinnoline-6-carbonyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=CNNC(=O)CC[C@H]2C(=O)NC(=O)N=N2)C1=O

DOS

IR

Vibrations