Geometry & MOs

Info

ID:	232266
PubChem CID:	87575841
Reduced:	NCl3O3C19H20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	379.074199
ΔH_f, kcal/mol:	-114.08
Dipole, Da:	2.12
IP(EA), eV:	-9.17(-0.62)
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

Drug info:

PubChemData

Smile

C1COCCC1OC2=CC=C(C=C2)C(C=O)(C3=CC(=C(C=C3)Cl)Cl)N.Cl

DOS

IR

Vibrations