Geometry & MOs

Info

ID:	210055
PubChem CID:	80755300
Reduced:	FN4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	230.126657
ΔH_f, kcal/mol:	-2.71
Dipole, Da:	2.61
IP(EA), eV:	-8.69(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1NC2=C(C=CC(=C2)C)F)N

DOS

IR

Vibrations