Geometry & MOs

Info

ID:	414392
PubChem CID:	135087349
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	-33.46
Dipole, Da:	5.41
IP(EA), eV:	-8.98(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl-[(3-methylimidazol-4-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

C1C[C@H]([C@]2(C1)CCCN(C2)CC3=CC=NC=C3)O

DOS

IR

Vibrations