Geometry & MOs

Info

ID:	50014
PubChem CID:	11538763
Reduced:	N2O3C24H44 (1)
Stoich.:	A2B3C24D44 (1)
Weight, g/mol:	408.140469
ΔH_f, kcal/mol:	-184.01
Dipole, Da:	4.94
IP(EA), eV:	-9.47(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-[(4-methylphenyl)methyl]pyrrolo[2,3-c]pyridine

Drug info:

PubChemData

Smile

CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(CCCCN)C(=O)O

DOS

IR

Vibrations