Geometry & MOs

Info

ID:	303625
PubChem CID:	124489973
Reduced:	N3O5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	253.110279
ΔH_f, kcal/mol:	-190.44
Dipole, Da:	2.33
IP(EA), eV:	-9.47(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-hydroxy-3-(4-methoxyphenyl)-3-phenylpropanenitrile

Drug info:

PubChemData

Smile

C1C[C@H](C(=O)N2[C@@H](CCCN2C1)C(=O)O)N[C@@H](CCC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations