Geometry & MOs

Info

ID:	407131
PubChem CID:	135079369
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-96.13
Dipole, Da:	3.59
IP(EA), eV:	-9.43(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methylhex-5-enoylamino) 2,4,6-trimethylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(=O)ONC(=O)CCC(=C)C)C

DOS

IR

Vibrations