Geometry & MOs

Info

ID:	299629
PubChem CID:	117688207
Reduced:	F3O4N5C27H30 (1)
Stoich.:	A3B4C5D27E30 (1)
Weight, g/mol:	198.111676
ΔH_f, kcal/mol:	-255.23
Dipole, Da:	6.02
IP(EA), eV:	-9.54(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3R,4R)-4-azido-3-methylcyclohexyl]carbamic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C(=NC=N2)C3=C(C=CC(=C3)C(F)F)OCC4CC4)C(=O)N[C@@H]5C[C@@H](C[C@H]5F)NC(=O)[C@H](C)O

DOS

IR

Vibrations