Geometry & MOs

Info

ID:	433957
PubChem CID:	135174104
Reduced:	O2N6H32C33 (1)
Stoich.:	A2B6C32D33 (1)
Weight, g/mol:	374.09938
ΔH_f, kcal/mol:	69.88
Dipole, Da:	6.25
IP(EA), eV:	-8.2(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=NC3=C(O2)CN(C3)C=O)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)CN7CCCC7)C

DOS

IR

Vibrations