Geometry & MOs

Info

ID:	308821
PubChem CID:	126522804
Reduced:	FON5H18C26 (1)
Stoich.:	ABC5D18E26 (1)
Weight, g/mol:	287.188529
ΔH_f, kcal/mol:	113.53
Dipole, Da:	5.37
IP(EA), eV:	-8.53(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=CC=NC3=N/C(=C/4\C5=C(C=CC(=C5)C6=CC=CC=N6)NN4)/C=C23)F

DOS

IR

Vibrations