Geometry & MOs

Info

ID:	255364
PubChem CID:	103131608
Reduced:	FN3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	277.134575
ΔH_f, kcal/mol:	17.31
Dipole, Da:	1.55
IP(EA), eV:	-8.9(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-chloro-4-(1-methylpyrazol-3-yl)phenyl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CNCC1=CC(=C(C=C1)C2=NN(C=C2)C)F

DOS

IR

Vibrations