Geometry & MOs

Info

ID:	287141
PubChem CID:	104233784
Reduced:	FNO2C14H22 (1)
Stoich.:	ABC2D14E22 (1)
Weight, g/mol:	263.14339
ΔH_f, kcal/mol:	-130.47
Dipole, Da:	1.7
IP(EA), eV:	-9.44(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCC(CN)C(C)(C1=C(C=CC=C1F)OC)O

DOS

IR

Vibrations