Geometry & MOs

Info

ID:	245743
PubChem CID:	103023185
Reduced:	FO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	199.148476
ΔH_f, kcal/mol:	-133.11
Dipole, Da:	2.02
IP(EA), eV:	-9.91(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-fluoro-4-(1-methylpyrazol-4-yl)butan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)CC(C)(C)OC

DOS

IR

Vibrations