Geometry & MOs

Info

ID:	405847
PubChem CID:	135075621
Reduced:	OPC9H17 (1)
Stoich.:	ABC9D17 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-88.97
Dipole, Da:	4.85
IP(EA), eV:	-9.58(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(E)-2-cyanoethenyl]pyrrole-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)P1(=O)CCC=CCC1

DOS

IR

Vibrations