Geometry & MOs

Info

ID:	336357
PubChem CID:	127255364
Reduced:	ClNO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	191.094629
ΔH_f, kcal/mol:	-92.96
Dipole, Da:	5.21
IP(EA), eV:	-8.93(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-amino-3-cyclopropylbenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)N)C2CC2.Cl

DOS

IR

Vibrations