Geometry & MOs

Info

ID:	377528
PubChem CID:	134223585
Reduced:	NH7C9 (4)
Stoich.:	AB7C9 (4)
Weight, g/mol:	242.151809
ΔH_f, kcal/mol:	173.22
Dipole, Da:	2.15
IP(EA), eV:	-8.32(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dimethyl-3-prop-2-enoyloxybutan-2-yl) 2-methylpropanoate

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=CC=CC=C5N4C6=NC(=NC(=N6)C7=CCCC=C7)C8=CC=CC=C8)C

DOS

IR

Vibrations