Geometry & MOs

Info

ID:	282886
PubChem CID:	103943663
Reduced:	BrN3C17H24 (1)
Stoich.:	AB3C17D24 (1)
Weight, g/mol:	247.148476
ΔH_f, kcal/mol:	34.23
Dipole, Da:	3.07
IP(EA), eV:	-8.56(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-fluoro-2-methylphenyl)methyl]-1-propan-2-ylpyrazol-4-amine

Drug info:

PubChemData

Smile

CC(C)N(C)CCCNCC1=C2C(=C(C=C1)Br)C=CC=N2

DOS

IR

Vibrations