Geometry & MOs

Info

ID:	445263
PubChem CID:	135265638
Reduced:	O2N3C7H17 (1)
Stoich.:	A2B3C7D17 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-74.94
Dipole, Da:	2.6
IP(EA), eV:	-8.58(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[5-(4-carbamimidoylphenyl)-4-methylpyridin-2-yl]-2,2-dimethylbutanoate

Drug info:

PubChemData

Smile

CCCOCN/N=C(\N)/OCC

DOS

IR

Vibrations