Geometry & MOs

Info

ID:	146170
PubChem CID:	53646512
Reduced:	NO3C16H24 (2)
Stoich.:	AB3C16D24 (2)
Weight, g/mol:	358.146347
ΔH_f, kcal/mol:	-322.02
Dipole, Da:	1.82
IP(EA), eV:	-10.05(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[5-[(benzylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-1H-imidazol-5-ol

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2C(=O)C3C(C2=O)C(C4C(C3OC5CCC(CC5)C)C(=O)N(C4=O)C)OC6CCC(CC6)C

DOS

IR

Vibrations