Geometry & MOs

Info

ID:	224376
PubChem CID:	85342251
Reduced:	NO6C21H23 (1)
Stoich.:	AB6C21D23 (1)
Weight, g/mol:	385.188923
ΔH_f, kcal/mol:	-186.59
Dipole, Da:	4.13
IP(EA), eV:	-9.37(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hydroxy-2-methylhex-4-en-2-yl)-12-methoxy-3,15-dioxa-17-azabicyclo[12.2.1]heptadeca-1(16),8,10,14(17)-tetraen-6-yn-2-one

Drug info:

PubChemData

Smile

CC1(OCC(O1)C2C=C(C(=O)O2)NC3C=C(C(=O)C3OC)C4=CC=CC=C4)C

DOS

IR

Vibrations