Geometry & MOs

Info

ID:	408446
PubChem CID:	135081212
Reduced:	NC7H12 (2)
Stoich.:	AB7C12 (2)
Weight, g/mol:	247.105587
ΔH_f, kcal/mol:	33.11
Dipole, Da:	1.73
IP(EA), eV:	-8.02(1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl N-[(3R,4R)-3,4,6-trihydroxy-5-oxohexyl]carbamate

Drug info:

PubChemData

Smile

C1CCCN(CC1)C#CN2CCCCCC2

DOS

IR

Vibrations