Geometry & MOs

Info

ID:	393007
PubChem CID:	135018893
Reduced:	LiN2C21H27 (1)
Stoich.:	AB2C21D27 (1)
Weight, g/mol:	466.152872
ΔH_f, kcal/mol:	24.77
Dipole, Da:	3.35
IP(EA), eV:	-7.22(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethoxy-19-nitro-14-phenyl-11-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),3,5,7,14,16,18,20-octaen-12-one

Drug info:

PubChemData

Smile

[Li+].C[C@H](C1=CC=CC=C1)[N-][C@@H](CN2CCCCC2)C3=CC=CC=C3

DOS

IR

Vibrations