Geometry & MOs

Info

ID:	225580
PubChem CID:	85856247
Reduced:	SN3O3C11H13 (1)
Stoich.:	AB3C3D11E13 (1)
Weight, g/mol:	170.094294
ΔH_f, kcal/mol:	-23.84
Dipole, Da:	3.7
IP(EA), eV:	-8.79(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-formylhex-4-enoate

Drug info:

PubChemData

Smile

CC(C)(C(=S)N)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations