Geometry & MOs

Info

ID:	204580
PubChem CID:	79986025
Reduced:	ClSN2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	244.168797
ΔH_f, kcal/mol:	61.44
Dipole, Da:	2.14
IP(EA), eV:	-8.86(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-(pyridin-4-ylmethyl)imidazol-4-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)C2=NC3=CC=CC(=C3C(=N2)Cl)C

DOS

IR

Vibrations