Geometry & MOs

Info

ID:	200645
PubChem CID:	79421132
Reduced:	ClN2O4C11H11 (1)
Stoich.:	AB2C4D11E11 (1)
Weight, g/mol:	269.177964
ΔH_f, kcal/mol:	-75.74
Dipole, Da:	6.39
IP(EA), eV:	-10.06(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-(2-methylphenyl)-4-phenoxybutan-1-amine

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1O)C(=O)C2=CC(=CC(=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations