Geometry & MOs

Info

ID:	198471
PubChem CID:	79105090
Reduced:	ClN2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	263.145619
ΔH_f, kcal/mol:	20.91
Dipole, Da:	2.32
IP(EA), eV:	-8.65(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propyl-1-[1-(1,3-thiazol-4-ylmethyl)pyrrol-3-yl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(CC)C1=CN(C=C1)CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations