Geometry & MOs

Info

ID:	420310
PubChem CID:	135112384
Reduced:	N2O3C20H30 (1)
Stoich.:	A2B3C20D30 (1)
Weight, g/mol:	246.148061
ΔH_f, kcal/mol:	-128.83
Dipole, Da:	2.93
IP(EA), eV:	-9.0(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methylimidazol-4-yl)methyl-(pyridin-2-ylmethyl)amino]ethanol

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)C(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations