Geometry & MOs

Info

ID:	255291
PubChem CID:	103131175
Reduced:	N3C17H27 (1)
Stoich.:	A3B17C27 (1)
Weight, g/mol:	287.10456
ΔH_f, kcal/mol:	-6.08
Dipole, Da:	4.19
IP(EA), eV:	-9.1(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methyl-1-(1-methylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CC12CC3CC(C1)(CC(C3)(C2)C(C4=NN(C=C4)C)N)C

DOS

IR

Vibrations