Geometry & MOs

Info

ID:	280924
PubChem CID:	103851977
Reduced:	ClO2N4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	263.14339
ΔH_f, kcal/mol:	42.98
Dipole, Da:	2.63
IP(EA), eV:	-9.31(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoro-4-methoxyphenyl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNCC2=C(C=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations