Geometry & MOs

Info

ID:	280759
PubChem CID:	103851144
Reduced:	N2O5C13H24 (1)
Stoich.:	A2B5C13D24 (1)
Weight, g/mol:	247.148476
ΔH_f, kcal/mol:	-230.89
Dipole, Da:	3.65
IP(EA), eV:	-9.42(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine

Drug info:

PubChemData

Smile

COCCN1CC(CC1=O)C(=O)NC(CCO)COC

DOS

IR

Vibrations