Geometry & MOs

Info

ID:	178741
PubChem CID:	76373292
Reduced:	PO2C23H25 (1)
Stoich.:	AB2C23D25 (1)
Weight, g/mol:	425.162708
ΔH_f, kcal/mol:	-47.17
Dipole, Da:	7.77
IP(EA), eV:	-9.35(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-17-methyl-13-phenyl-10,21-dioxa-2-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),4(9),5,7,15(20),16,18-heptaen-22-one

Drug info:

PubChemData

Smile

C=C1CC2(CCCCC2)C(=CP(=O)(C3=CC=CC=C3)C4=CC=CC=C4)O1

DOS

IR

Vibrations