Geometry & MOs

Info

ID:	231935
PubChem CID:	87574951
Reduced:	N3C16H19 (1)
Stoich.:	A3B16C19 (1)
Weight, g/mol:	222.089209
ΔH_f, kcal/mol:	72.31
Dipole, Da:	3.68
IP(EA), eV:	-8.82(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3-formyl-4-methoxyphenyl)propanoate

Drug info:

PubChemData

Smile

C1CNC(N1)/N=C/2\CC=C(C=C2)CC3=CC=CC=C3

DOS

IR

Vibrations