Geometry & MOs

Info

ID:	280904
PubChem CID:	103851842
Reduced:	NF2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	289.134575
ΔH_f, kcal/mol:	-72.66
Dipole, Da:	3.16
IP(EA), eV:	-9.24(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclobutan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C1CC1)NCC2=CC(=CC(=C2)F)F

DOS

IR

Vibrations