Geometry & MOs

Info

ID:	339696
PubChem CID:	127261698
Reduced:	O2N3C9H11 (1)
Stoich.:	A2B3C9D11 (1)
Weight, g/mol:	195.100777
ΔH_f, kcal/mol:	-28.65
Dipole, Da:	2.08
IP(EA), eV:	-8.27(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[[(1E)-1-pyrrol-2-ylideneethyl]amino]carbamate

Drug info:

PubChemData

Smile

COC(=O)N/N=C/C1=CC=CC=C1N

DOS

IR

Vibrations