Geometry & MOs

Info

ID:	405775
PubChem CID:	135075434
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	217.097075
ΔH_f, kcal/mol:	-91.58
Dipole, Da:	5.93
IP(EA), eV:	-8.46(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)NC1=CC=C(C=C1)[C@@H](CC(=O)C)O

DOS

IR

Vibrations