Geometry & MOs

Info

ID:	23752
PubChem CID:	605903
Reduced:	ClN2O2H15C22 (1)
Stoich.:	AB2C2D15E22 (1)
Weight, g/mol:	374.082205
ΔH_f, kcal/mol:	47.71
Dipole, Da:	4.97
IP(EA), eV:	-9.71(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaene-13-carbonyl chloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NOC3C2C4=CC=CC=C4N(C5=CC=CC=C35)C(=O)Cl

DOS

IR

Vibrations