Geometry & MOs

Info

ID:	307338
PubChem CID:	125299616
Reduced:	ClO3N4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	300.03017
ΔH_f, kcal/mol:	-31.77
Dipole, Da:	6.43
IP(EA), eV:	-8.7(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-2H-indol-3-yl)-(4-nitrophenyl)methanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=C(NO1)C)CN2CCN(CC2)[C@@H](C3=C4C=CC(=CC4=NC3)Cl)C(=O)O

DOS

IR

Vibrations