Geometry & MOs

Info

ID:	146597
PubChem CID:	53712396
Reduced:	N3O3C28H37 (1)
Stoich.:	A3B3C28D37 (1)
Weight, g/mol:	142.09938
ΔH_f, kcal/mol:	-67.16
Dipole, Da:	6.75
IP(EA), eV:	-7.7(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-1-enyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCOC1=C(NC(=C1C(=O)O)C2=CC=C(N2)C)C=C3C=CC(=CCCCCCCCCC=C)N3

DOS

IR

Vibrations