Geometry & MOs

Info

ID:	371866
PubChem CID:	131276145
Reduced:	NOF2H7C8 (1)
Stoich.:	ABC2D7E8 (1)
Weight, g/mol:	218.141913
ΔH_f, kcal/mol:	-103.69
Dipole, Da:	1.57
IP(EA), eV:	-10.14(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-(3-hydroxy-2,4,6-trimethylphenyl)butanenitrile

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1)C(=O)C(F)F

DOS

IR

Vibrations