Geometry & MOs

Info

ID:	388885
PubChem CID:	134990523
Reduced:	NO5C25H35 (1)
Stoich.:	AB5C25D35 (1)
Weight, g/mol:	338.199428
ΔH_f, kcal/mol:	-236.64
Dipole, Da:	3.05
IP(EA), eV:	-9.38(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-2-(dimethylamino)-5-phenylpentanenitrile

Drug info:

PubChemData

Smile

CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(CC=C4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C)C(=O)COC(=O)C

DOS

IR

Vibrations