Geometry & MOs

Info

ID:	341000
PubChem CID:	127263435
Reduced:	ClN2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	323.06332
ΔH_f, kcal/mol:	-88.16
Dipole, Da:	3.3
IP(EA), eV:	-9.44(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[benzyl-[(4-bromo-1H-pyrazol-5-yl)methyl]amino]propan-1-ol

Drug info:

PubChemData

Smile

COC(=O)C(CN1C=CN=C1CO)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations