Geometry & MOs

Info

ID:	297983
PubChem CID:	117644531
Reduced:	FON6C19H27 (1)
Stoich.:	ABC6D19E27 (1)
Weight, g/mol:	177.100108
ΔH_f, kcal/mol:	-62.16
Dipole, Da:	3.6
IP(EA), eV:	-8.55(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-ethoxy-3-hydroxybutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC[C@@H]([C@@H](CC)NC1=C(C=C(C(=N1)NC2=CN=C(C(=C2)C)C)C(=O)N)F)N

DOS

IR

Vibrations