Geometry & MOs

Info

ID:	192690
PubChem CID:	78302669
Reduced:	N3O3C16H27 (1)
Stoich.:	A3B3C16D27 (1)
Weight, g/mol:	327.147058
ΔH_f, kcal/mol:	-130.9
Dipole, Da:	1.94
IP(EA), eV:	-9.75(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-prop-2-enyl-12,16-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.015,17]nonadeca-7(19),8,10-triene-10,14-diol

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CCC1C=CC(C=C1)N)C(=O)O)N

DOS

IR

Vibrations