Geometry & MOs

Info

ID:	402833
PubChem CID:	135057449
Reduced:	NO3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	283.157229
ΔH_f, kcal/mol:	-108.67
Dipole, Da:	1.44
IP(EA), eV:	-8.06(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-pentan-2-yl-4-pyridin-2-ylbenzoate

Drug info:

PubChemData

Smile

CCOC(=O)CCCC1=CC=CC=C1C(C)NC2=CC=C(C=C2)OC

DOS

IR

Vibrations