Geometry & MOs

Info

ID:	395572
PubChem CID:	135025869
Reduced:	BrN2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	215.115758
ΔH_f, kcal/mol:	-19.4
Dipole, Da:	3.92
IP(EA), eV:	-9.18(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-4-hydroxycyclohex-2-en-1-yl]-2,2-dimethoxyacetamide

Drug info:

PubChemData

Smile

C1COC(O1)C2=C(C3=C(C=C2)NN=C3)Br

DOS

IR

Vibrations