Geometry & MOs

Info

ID:	22317
PubChem CID:	596638
Reduced:	N2O3C17H18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	298.131742
ΔH_f, kcal/mol:	-86.45
Dipole, Da:	2.9
IP(EA), eV:	-8.84(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(benzylcarbamoylamino)-2-methylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)NCC2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations