Geometry & MOs

Info

ID:	334031
PubChem CID:	127252583
Reduced:	ClN2O7H23C29 (1)
Stoich.:	AB2C7D23E29 (1)
Weight, g/mol:	423.20774
ΔH_f, kcal/mol:	-163.91
Dipole, Da:	6.1
IP(EA), eV:	-8.5(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=C/C(=C\5/NC6=CC=CC=C6O5)/C(=O)C=C4

DOS

IR

Vibrations