Geometry & MOs

Info

ID:	151451
PubChem CID:	53812307
Reduced:	N2O3C13H14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	270.146724
ΔH_f, kcal/mol:	-83.07
Dipole, Da:	2.08
IP(EA), eV:	-9.5(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-(4-formyl-2-methyl-1,3-dioxan-5-yl)hept-5-enoate

Drug info:

PubChemData

Smile

CNC(=O)N(C)C(=O)C(=C=O)CC1=CC=CC=C1

DOS

IR

Vibrations