Geometry & MOs

Info

ID:	280007
PubChem CID:	103846300
Reduced:	ClON3C9H10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	209.105193
ΔH_f, kcal/mol:	-6.56
Dipole, Da:	1.85
IP(EA), eV:	-9.03(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-amino-2-propoxybenzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)/C=N/NC(=O)N

DOS

IR

Vibrations