Geometry & MOs

Info

ID:	212663
PubChem CID:	81061413
Reduced:	N3O3C14H29 (1)
Stoich.:	A3B3C14D29 (1)
Weight, g/mol:	313.10413
ΔH_f, kcal/mol:	-119.6
Dipole, Da:	4.05
IP(EA), eV:	-9.22(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-methyl-2-phenyl-N-(2-propan-2-yloxyethyl)propan-1-amine

Drug info:

PubChemData

Smile

CCCC(CCC)(C(=NO)N)C(=O)N(C)CCOCC

DOS

IR

Vibrations