Geometry & MOs

Info

ID:	414427
PubChem CID:	135087385
Reduced:	ON2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	-12.82
Dipole, Da:	3.07
IP(EA), eV:	-9.0(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=C(N=CC=C2)N[C@H]3COC[C@H]3CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations