Geometry & MOs

Info

ID:	393059
PubChem CID:	135019176
Reduced:	NO3H23C28 (1)
Stoich.:	AB3C23D28 (1)
Weight, g/mol:	402.173213
ΔH_f, kcal/mol:	-20.29
Dipole, Da:	2.93
IP(EA), eV:	-8.35(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,24R)-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-octaen-14-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C3C4=CC5=CC=CC=C5C(=C4C(=O)N3CCC2=C1)C6=CC=CC=C6)OC

DOS

IR

Vibrations