Geometry & MOs

Info

ID:	136185
PubChem CID:	51993591
Reduced:	N2O2C22H31 (1)
Stoich.:	A2B2C22D31 (1)
Weight, g/mol:	492.04966
ΔH_f, kcal/mol:	-51.14
Dipole, Da:	6.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.924130
Charge, e:	1

Chem-info

IUPAC name:

[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl-[(2R)-4-phenylbutan-2-yl]azanium

Drug info:

PubChemData

Smile

CCCCCC[NH2+]CC1=CC(=CC=C1)OCC(=O)NC2=CC=C(C=C2)C

DOS

IR

Vibrations