Geometry & MOs

Info

ID:	176569
PubChem CID:	76066468
Reduced:	PN2O5C29H41 (1)
Stoich.:	AB2C5D29E41 (1)
Weight, g/mol:	230.153147
ΔH_f, kcal/mol:	-284.48
Dipole, Da:	3.56
IP(EA), eV:	-9.3(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-pyridin-3-ylimidazol-1-yl)pentan-1-amine

Drug info:

PubChemData

Smile

CC(CC(CP(=O)(O)O)C(=O)NC(CC1CCCCC1)C(=O)NCCC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations