Geometry & MOs

Info

ID:	246974
PubChem CID:	103065892
Reduced:	ClO2N3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	180.045426
ΔH_f, kcal/mol:	-47.63
Dipole, Da:	8.16
IP(EA), eV:	-9.1(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(chloromethyl)prop-2-enyl]pyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

COC1CCN(C1)C2=CC(=O)N(N=C2)CC(=C)CCl

DOS

IR

Vibrations