Geometry & MOs

Info

ID:	215875
PubChem CID:	85085374
Reduced:	O3C10H12 (1)
Stoich.:	A3B10C12 (1)
Weight, g/mol:	180.126263
ΔH_f, kcal/mol:	-81.77
Dipole, Da:	2.1
IP(EA), eV:	-8.06(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5,5-dimethyl-4-oxohex-2-en-2-yl)amino]acetonitrile

Drug info:

PubChemData

Smile

COC=CC1=CC(=C(C=C1)OC)O

DOS

IR

Vibrations