Geometry & MOs

Info

ID:	224663
PubChem CID:	85345788
Reduced:	O5C18H28 (1)
Stoich.:	A5B18C28 (1)
Weight, g/mol:	325.167794
ΔH_f, kcal/mol:	-231.89
Dipole, Da:	1.55
IP(EA), eV:	-9.81(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-(2-formyl-N-methylanilino)-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCC1C(=C)C(=C)C(O1)COC(=O)C(C)(C)C

DOS

IR

Vibrations