Geometry & MOs

Info

ID:	198413
PubChem CID:	79098009
Reduced:	ClNOH14C15 (1)
Stoich.:	ABCD14E15 (1)
Weight, g/mol:	220.157563
ΔH_f, kcal/mol:	20.08
Dipole, Da:	5.39
IP(EA), eV:	-9.27(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]pentanenitrile

Drug info:

PubChemData

Smile

C1CC1C(=O)C2=CN(C=C2)CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations