Geometry & MOs

Info

ID:	205494
PubChem CID:	80111677
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	310.054277
ΔH_f, kcal/mol:	-61.0
Dipole, Da:	6.4
IP(EA), eV:	-8.16(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-5-[(5-chlorothiophen-2-yl)methylamino]-3-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC2=CC(=C(C(=C2)C)N)C(=O)O)C

DOS

IR

Vibrations