Geometry & MOs

Info

ID:	422817
PubChem CID:	135118467
Reduced:	SN2O3C20H28 (1)
Stoich.:	AB2C3D20E28 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	-99.0
Dipole, Da:	6.04
IP(EA), eV:	-8.85(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CCC(=O)N2CCC[C@@]3([C@@H]2CCOC3)C4=CCOCC4

DOS

IR

Vibrations