Geometry & MOs

Info

ID:	255292
PubChem CID:	103131178
Reduced:	N3F4C13H13 (1)
Stoich.:	A3B4C13D13 (1)
Weight, g/mol:	205.132746
ΔH_f, kcal/mol:	-143.58
Dipole, Da:	2.43
IP(EA), eV:	-9.17(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1H-imidazol-2-yl-(1-methylpyrazol-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations