Geometry & MOs

Info

ID:	197978
PubChem CID:	79025768
Reduced:	BrClN2O2C14H16 (1)
Stoich.:	ABC2D2E14F16 (1)
Weight, g/mol:	337.07897
ΔH_f, kcal/mol:	-46.91
Dipole, Da:	3.45
IP(EA), eV:	-9.11(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[2-[(4-bromo-2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanamine

Drug info:

PubChemData

Smile

CC1=NN(C(=C1Br)COC2=C(C=C(C=C2)Cl)[C@H](C)O)C

DOS

IR

Vibrations