Geometry & MOs

Info

ID:	300443
PubChem CID:	121282125
Reduced:	ClO2N8C14H15 (1)
Stoich.:	AB2C8D14E15 (1)
Weight, g/mol:	283.178358
ΔH_f, kcal/mol:	20.3
Dipole, Da:	6.06
IP(EA), eV:	-8.79(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 1-[[(2S)-oxolane-2-carbonyl]amino]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CN=C(C(=N1)OC(=O)NC2=NN(C=C2)C)NC3=CN=CN=C3.Cl

DOS

IR

Vibrations