Geometry & MOs

Info

ID:	419676
PubChem CID:	135108691
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-95.93
Dipole, Da:	9.06
IP(EA), eV:	-9.2(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methylfuran-2-yl)methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)N3C[C@H]([C@@H](C3)O)CC4=CC=NC=C4

DOS

IR

Vibrations