Geometry & MOs

Info

ID:	178742
PubChem CID:	76373620
Reduced:	NO4H23C27 (1)
Stoich.:	AB4C23D27 (1)
Weight, g/mol:	411.147058
ΔH_f, kcal/mol:	-72.18
Dipole, Da:	6.4
IP(EA), eV:	-8.51(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-methoxy-13-phenyl-10,21-dioxa-2-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),4,6,8,15(20),16,18-heptaen-22-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=O)C3=C2C(C4COC5=C(C4N3)C=CC=C5OC)C6=CC=CC=C6

DOS

IR

Vibrations