Geometry & MOs

Info

ID:	273902
PubChem CID:	103805762
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	208.157563
ΔH_f, kcal/mol:	-26.03
Dipole, Da:	3.97
IP(EA), eV:	-9.2(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R)-2-aminocyclohexyl]hexa-2,4-dienamide

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)N)NC(=O)C2CC2C3=CC=CC=C3

DOS

IR

Vibrations