Geometry & MOs

Info

ID:	392795
PubChem CID:	135017990
Reduced:	ON3H19C21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	252.12224
ΔH_f, kcal/mol:	62.48
Dipole, Da:	1.7
IP(EA), eV:	-7.58(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (NE)-N-[amino-(1H-pyrrole-2-carbonylamino)methylidene]carbamate

Drug info:

PubChemData

Smile

C1COCCN1C2=C3C=C4C=CC=CC4=CN3C(=C2)C5=CC=CC=N5

DOS

IR

Vibrations