Geometry & MOs

Info

ID:	317100
PubChem CID:	126632483
Reduced:	NPH18C25 (1)
Stoich.:	ABC18D25 (1)
Weight, g/mol:	321.115364
ΔH_f, kcal/mol:	97.06
Dipole, Da:	1.92
IP(EA), eV:	-8.06(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-methyl-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C1C4=C(C=C3)C5=CC=CC=C5P4C6=CC=CC=C6

DOS

IR

Vibrations