Geometry & MOs

Info

ID:	307065
PubChem CID:	125267440
Reduced:	ClON6C19H19 (1)
Stoich.:	ABC6D19E19 (1)
Weight, g/mol:	515.161184
ΔH_f, kcal/mol:	93.65
Dipole, Da:	4.66
IP(EA), eV:	-8.9(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,8R)-2-(3-chlorophenyl)-6-[(3,4-dimethoxyphenyl)methyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-10,12,14,16-tetraene-4,7-dione

Drug info:

PubChemData

Smile

C1C(=C2C=CC=CC2=N1)CCNC(=O)CCCC3=NN=C4N3N=C(C=C4)Cl

DOS

IR

Vibrations