Geometry & MOs

Info

ID:	433979
PubChem CID:	135174129
Reduced:	BrOCl2N3C18H18 (1)
Stoich.:	ABC2D3E18F18 (1)
Weight, g/mol:	410.293328
ΔH_f, kcal/mol:	6.03
Dipole, Da:	4.06
IP(EA), eV:	-8.89(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-N-[[3-[(4-butylphenyl)methoxy]-5-(2-methylpropoxy)phenyl]methyl]methanamine

Drug info:

PubChemData

Smile

C1C(CN1)CNCC2=CC(=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)Br)Cl

DOS

IR

Vibrations