Geometry & MOs

Info

ID:	146812
PubChem CID:	53754124
Reduced:	O4N5C20H27 (1)
Stoich.:	A4B5C20D27 (1)
Weight, g/mol:	319.133907
ΔH_f, kcal/mol:	-132.63
Dipole, Da:	5.04
IP(EA), eV:	-8.48(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-[[(2R)-1-(2-chlorophenyl)propan-2-yl]amino]-1-(2-methoxyphenyl)ethanol

Drug info:

PubChemData

Smile

CC1C(=C)C(=C(C(=N1)NC(=O)OC(C)(C)C)N2C(=CC=C(C2=O)N)C)CNC=O

DOS

IR

Vibrations