Geometry & MOs

Info

ID:	334563
PubChem CID:	127253238
Reduced:	O2N3H15C21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	423.20774
ΔH_f, kcal/mol:	22.95
Dipole, Da:	0.64
IP(EA), eV:	-8.92(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-1-methylindol-2-yl)-[(1S,9R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-yl]methanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCC5=CN=CN5

DOS

IR

Vibrations