Geometry & MOs

Info

ID:	447217
PubChem CID:	135281262
Reduced:	ClO2N5C25H26 (1)
Stoich.:	AB2C5D25E26 (1)
Weight, g/mol:	291.95018
ΔH_f, kcal/mol:	25.28
Dipole, Da:	5.0
IP(EA), eV:	-7.94(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-bromo-2-(5-chloro-2,4-dimethoxyphenyl)acetaldehyde

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C2=CN3C=CC(=CC3=N2)N4CC[C@@H](C4)NCC5=CC=NC=C5)Cl)OC

DOS

IR

Vibrations