Geometry & MOs

Info

ID:	74763
PubChem CID:	48422426
Reduced:	N2O5C20H22 (1)
Stoich.:	A2B5C20D22 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-175.53
Dipole, Da:	2.27
IP(EA), eV:	-9.74(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-(cyclopropylmethoxy)propanoylamino]methyl]benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)CNC(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations