Geometry & MOs

Info

ID:	277868
PubChem CID:	103831390
Reduced:	ON2C13H26 (1)
Stoich.:	AB2C13D26 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-87.29
Dipole, Da:	3.36
IP(EA), eV:	-9.24(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[4-[[(2S)-2-aminohexanoyl]amino]phenyl]carbamate

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)N(CC)C1CCCC1)N

DOS

IR

Vibrations