Geometry & MOs

Info

ID:	398839
PubChem CID:	135035681
Reduced:	N3O5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	359.08254
ΔH_f, kcal/mol:	-179.49
Dipole, Da:	4.89
IP(EA), eV:	-9.0(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-chloro-8-methyl-17-phenyl-8,10,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaen-9-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@H](N(C1=N)CC2=CC=C(C=C2)OC)C(=O)OC

DOS

IR

Vibrations