Geometry & MOs

Info

ID:	336356
PubChem CID:	127255363
Reduced:	ClON2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	227.071306
ΔH_f, kcal/mol:	-47.83
Dipole, Da:	2.24
IP(EA), eV:	-9.2(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-amino-3-cyclopropylbenzoate;hydrochloride

Drug info:

PubChemData

Smile

C1CNCCC12C3=C(CO2)C=NC=C3.Cl

DOS

IR

Vibrations