Geometry & MOs

Info

ID:	232265
PubChem CID:	87575835
Reduced:	FSCl2O3N4C31H31 (1)
Stoich.:	ABC2D3E4F31G31 (1)
Weight, g/mol:	415.050877
ΔH_f, kcal/mol:	-79.19
Dipole, Da:	9.31
IP(EA), eV:	-8.88(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(3,4-dichlorophenyl)-2-[4-(oxan-4-yloxy)phenyl]acetaldehyde;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=C(C=C1)Cl)Cl)C2=CN=C(N2C3=CC(=C(C=C3)F)OC)SCC4=CC(=C(C=C4)CCCN=CN)C(=O)O

DOS

IR

Vibrations