Geometry & MOs

Info

ID:	151570
PubChem CID:	53837803
Reduced:	ClN2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	360.160456
ΔH_f, kcal/mol:	-99.15
Dipole, Da:	4.31
IP(EA), eV:	-9.29(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CCC(=O)OC1=CC(CC(=O)C1)C2=C(N(N=C2C)C)Cl

DOS

IR

Vibrations