Geometry & MOs

Info

ID:	447286
PubChem CID:	135281776
Reduced:	ClN2O4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	266.143056
ΔH_f, kcal/mol:	-154.61
Dipole, Da:	5.13
IP(EA), eV:	-9.31(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[5-[(3S)-3-amino-3-cyclopropylpropyl]-2-fluorophenyl]carbamate

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)Cl)C(=O)N2C[C@@H](C[C@@H]2C(=O)O)OC

DOS

IR

Vibrations