Geometry & MOs

Info

ID:	50139
PubChem CID:	12012646
Reduced:	GeN2O3C36H43 (1)
Stoich.:	AB2C3D36E43 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	79.71
Dipole, Da:	8.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 3.313948
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-1-(4-nitroanilino)-1-phenylbutan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)[Ge]C2=C(C=C(C=C2C)C)C)C.CC(C)(C)C(C(C1=CC=CC=C1)[N-]C2=CC=C(C=C2)[N+](=O)[O-])O

DOS

IR

Vibrations