Geometry & MOs

Info

ID:	59531
PubChem CID:	24875256
Reduced:	FO2N10H21C24 (1)
Stoich.:	AB2C10D21E24 (1)
Weight, g/mol:	268.178693
ΔH_f, kcal/mol:	97.4
Dipole, Da:	12.04
IP(EA), eV:	-9.19(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1R,2S,5S)-2-(C-methoxycarbonimidoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NN(C=C1)C2=NC=C(C3=C2NC=C3C(=O)C(=O)N4CCN(CC4)C5=NN=NN5C6=CC=CC=C6)F

DOS

IR

Vibrations