Geometry & MOs

Info

ID:	231909
PubChem CID:	87574887
Reduced:	OC7H14 (2)
Stoich.:	AB7C14 (2)
Weight, g/mol:	401.035227
ΔH_f, kcal/mol:	-147.11
Dipole, Da:	2.98
IP(EA), eV:	-10.07(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCC(=O)C.CC(C)CCC(=O)C

DOS

IR

Vibrations