Geometry & MOs

Info

ID:	266545
PubChem CID:	103570256
Reduced:	OF3N3C9H14 (1)
Stoich.:	AB3C3D9E14 (1)
Weight, g/mol:	211.168462
ΔH_f, kcal/mol:	-176.71
Dipole, Da:	4.69
IP(EA), eV:	-9.68(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(butan-2-ylamino)-2-(1-ethylpyrazol-4-yl)ethanol

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C(CO)NCC(F)(F)F

DOS

IR

Vibrations