Geometry & MOs

Info

ID:	42434
PubChem CID:	8149552
Reduced:	ON3C24H35 (1)
Stoich.:	AB3C24D35 (1)
Weight, g/mol:	407.070451
ΔH_f, kcal/mol:	-66.76
Dipole, Da:	3.97
IP(EA), eV:	-7.76(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-12-chloro-2-(4-chlorophenyl)-4-methyl-6-phenyl-1,5,6,8,13-pentazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)NC4=CC=C(C=C4)N5CCCCC5

DOS

IR

Vibrations