Geometry & MOs

Info

ID:	434070
PubChem CID:	135174227
Reduced:	BrClO2N4C28H30 (1)
Stoich.:	ABC2D4E28F30 (1)
Weight, g/mol:	388.11503
ΔH_f, kcal/mol:	15.9
Dipole, Da:	4.75
IP(EA), eV:	-9.08(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(2-bromophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine

Drug info:

PubChemData

Smile

C1C(CN1)CNCCNC(=O)C2=CC(=CC(=C2)/C=C/C3=C(C=C(C=C3)Cl)Br)OCCC4=CC=NC=C4

DOS

IR

Vibrations