Geometry & MOs

Info

ID:	74131
PubChem CID:	48421500
Reduced:	N3O5C15H19 (1)
Stoich.:	A3B5C15D19 (1)
Weight, g/mol:	324.12407
ΔH_f, kcal/mol:	-110.52
Dipole, Da:	2.88
IP(EA), eV:	-9.49(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(3-chloro-4-methylphenyl)carbamoyl-cyclopropylamino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations