Geometry & MOs

Info

ID:	133439
PubChem CID:	51527585
Reduced:	ClN2O2C22H32 (1)
Stoich.:	AB2C2D22E32 (1)
Weight, g/mol:	425.176259
ΔH_f, kcal/mol:	-24.08
Dipole, Da:	2.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754434
Charge, e:	1

Chem-info

IUPAC name:

3-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl-diethylazanium

Drug info:

PubChemData

Smile

CC[NH+](CC)CCCNCC1=CC(=C(C=C1)OCC2=CC=CC=C2Cl)OC

DOS

IR

Vibrations