Geometry & MOs

Info

ID:	312511
PubChem CID:	126606137
Reduced:	OSN6C20H24 (1)
Stoich.:	ABC6D20E24 (1)
Weight, g/mol:	192.089878
ΔH_f, kcal/mol:	41.29
Dipole, Da:	4.33
IP(EA), eV:	-8.53(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-amino-3-methanimidoylbenzoate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=CNC2=NC=C(N=C12)C(=N)C3=C(C=CC(=C3)SC)NC

DOS

IR

Vibrations