Geometry & MOs

Info

ID:	256485
PubChem CID:	103139554
Reduced:	N5C15H17 (1)
Stoich.:	A5B15C17 (1)
Weight, g/mol:	190.110613
ΔH_f, kcal/mol:	81.56
Dipole, Da:	6.23
IP(EA), eV:	-8.64(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-methyloxolan-2-yl)methyl]pyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CCC1=NN(C(=N1)CC)C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations