Geometry & MOs

Info

ID:	372616
PubChem CID:	131300900
Reduced:	OSN2C11H16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	168.126263
ΔH_f, kcal/mol:	1.1
Dipole, Da:	3.94
IP(EA), eV:	-8.51(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-aminoethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanol

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2=CC(=CS2)C=O

DOS

IR

Vibrations