Geometry & MOs

Info

ID:	216312
PubChem CID:	85086031
Reduced:	N3O6C9H13 (1)
Stoich.:	A3B6C9D13 (1)
Weight, g/mol:	253.110279
ΔH_f, kcal/mol:	-162.05
Dipole, Da:	5.58
IP(EA), eV:	-9.97(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-3-(4-methoxyphenyl)-2-phenylpropanenitrile

Drug info:

PubChemData

Smile

C1CNCC2C1C(=O)N(C(=O)O2)CCO[N+](=O)[O-]

DOS

IR

Vibrations