Geometry & MOs

Info

ID:	260775
PubChem CID:	103203575
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	203.142248
ΔH_f, kcal/mol:	-36.0
Dipole, Da:	5.97
IP(EA), eV:	-8.98(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[[(3-methylcyclobutyl)amino]methyl]pyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CN1C=C(C=C1C#N)CNCCCCOCCOC

DOS

IR

Vibrations