Geometry & MOs

Info

ID:	399633
PubChem CID:	135041392
Reduced:	BrClON3H9C12 (1)
Stoich.:	ABCD3E9F12 (1)
Weight, g/mol:	172.121178
ΔH_f, kcal/mol:	33.4
Dipole, Da:	4.28
IP(EA), eV:	-9.47(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-amino-3-ethoxy-2-methylprop-2-enimidate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NNC2=NC=CC(=C2)Br)Cl

DOS

IR

Vibrations