Geometry & MOs

Info

ID:	393060
PubChem CID:	135019177
Reduced:	ON2H22C28 (1)
Stoich.:	AB2C22D28 (1)
Weight, g/mol:	400.157563
ΔH_f, kcal/mol:	57.87
Dipole, Da:	4.23
IP(EA), eV:	-8.46(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-phenyl-3,13-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-2(10),4,6,8,15,17,19,21,23-nonaen-14-one

Drug info:

PubChemData

Smile

C1CN2[C@H]([C@@H]3CC4=CC=CC=C4C(=C3C2=O)C5=CC=CC=C5)C6=C1C7=CC=CC=C7N6

DOS

IR

Vibrations