Geometry & MOs

Info

ID:	399083
PubChem CID:	135037547
Reduced:	NO3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	157.110279
ΔH_f, kcal/mol:	-82.89
Dipole, Da:	2.94
IP(EA), eV:	-9.69(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-6-amino-6-hydroxy-4,5-dimethylhex-4-en-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCC1C2=CC=CC=C2)N=C=O

DOS

IR

Vibrations