Geometry & MOs

Info

ID:	280769
PubChem CID:	103851191
Reduced:	ClFN2C14H22 (1)
Stoich.:	ABC2D14E22 (1)
Weight, g/mol:	281.164046
ΔH_f, kcal/mol:	-50.87
Dipole, Da:	4.84
IP(EA), eV:	-8.72(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine

Drug info:

PubChemData

Smile

CC(C)N(C)CCCNCC1=CC(=C(C=C1)F)Cl

DOS

IR

Vibrations