Geometry & MOs

Info

ID:	198612
PubChem CID:	79125340
Reduced:	NOC19H19 (1)
Stoich.:	ABC19D19 (1)
Weight, g/mol:	229.204179
ΔH_f, kcal/mol:	11.21
Dipole, Da:	1.93
IP(EA), eV:	-9.3(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-amino-2-methylbutan-2-yl)-2-ethyl-2-methyloxan-4-ol

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C2(CCC3=CC=CC=C32)C#N)O)C

DOS

IR

Vibrations