Geometry & MOs

Info

ID:	397966
PubChem CID:	135031166
Reduced:	ClNOH18C21 (1)
Stoich.:	ABCD18E21 (1)
Weight, g/mol:	335.107692
ΔH_f, kcal/mol:	13.0
Dipole, Da:	0.68
IP(EA), eV:	-8.51(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-(3-chlorophenyl)-11-oxa-16-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8-pentaene

Drug info:

PubChemData

Smile

C1CC2N(C1)C(C3=C(O2)C=CC4=CC=CC=C43)C5=CC=CC=C5Cl

DOS

IR

Vibrations