Geometry & MOs

Info

ID:	169894
PubChem CID:	75164171
Reduced:	N6O6C31H32 (1)
Stoich.:	A6B6C31D32 (1)
Weight, g/mol:	190.09938
ΔH_f, kcal/mol:	-140.19
Dipole, Da:	3.78
IP(EA), eV:	-9.04(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-prop-1-enylphenyl) propanoate

Drug info:

PubChemData

Smile

CC(C(=O)OCC1=CC=CC=C1)NC2=NC(=NC(=N2)NC3=CC=CC=C3C(=O)NC(C)C(=O)OCC4=CC=CC=C4)OC

DOS

IR

Vibrations