Geometry & MOs

Info

ID:	180476
PubChem CID:	76639227
Reduced:	O3N5C27H41 (1)
Stoich.:	A3B5C27D41 (1)
Weight, g/mol:	310.097187
ΔH_f, kcal/mol:	-127.31
Dipole, Da:	4.9
IP(EA), eV:	-8.44(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(4-chlorophenyl)-hydroxymethylidene]-4,4-dimethyl-2-oxopentanoate

Drug info:

PubChemData

Smile

CN1C(=O)C(N=C1N)(CCC2CCCCC2)CC3CCCC(C3)NC(=O)NC4=CC=CC=C4OC

DOS

IR

Vibrations