Geometry & MOs

Info

ID:	210066
PubChem CID:	80757395
Reduced:	ClFN4C12H12 (1)
Stoich.:	ABC4D12E12 (1)
Weight, g/mol:	216.111007
ΔH_f, kcal/mol:	4.96
Dipole, Da:	3.96
IP(EA), eV:	-8.83(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1NC2=C(C=C(C=C2)F)Cl)NC

DOS

IR

Vibrations