Geometry & MOs

Info

ID:	284475
PubChem CID:	104049440
Reduced:	NO3C17H31 (1)
Stoich.:	AB3C17D31 (1)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	-173.95
Dipole, Da:	2.71
IP(EA), eV:	-8.8(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(2-cyano-N-methylanilino)-2,2-dimethyl-3-oxobutanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)C(=O)CN(C)C1CCC(CC1)(C)C

DOS

IR

Vibrations