Geometry & MOs

Info

ID:	416006
PubChem CID:	135089011
Reduced:	ClNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	-135.5
Dipole, Da:	6.13
IP(EA), eV:	-9.3(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)CN2CC[C@@H]([C@@H](C2)O)C(=O)O

DOS

IR

Vibrations