Geometry & MOs

Info

ID:	264185
PubChem CID:	103439178
Reduced:	ClN3C12H12 (1)
Stoich.:	AB3C12D12 (1)
Weight, g/mol:	269.00514
ΔH_f, kcal/mol:	82.24
Dipole, Da:	3.55
IP(EA), eV:	-8.58(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(3-bromoanilino)cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C1CC1NC2=C(C(=CC=C2)Cl)N3C=CC=N3

DOS

IR

Vibrations