Geometry & MOs

Info

ID:	314473
PubChem CID:	126621881
Reduced:	ClN2H17C28 (1)
Stoich.:	AB2C17D28 (1)
Weight, g/mol:	380.071641
ΔH_f, kcal/mol:	138.59
Dipole, Da:	5.15
IP(EA), eV:	-8.99(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-chloro-19-phenyl-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C4=NC(=NC5=C4C6=CC=CC=C6C=C5)Cl

DOS

IR

Vibrations