Geometry & MOs

Info

ID:	280950
PubChem CID:	103852115
Reduced:	O2N5C16H23 (1)
Stoich.:	A2B5C16D23 (1)
Weight, g/mol:	250.067304
ΔH_f, kcal/mol:	-41.47
Dipole, Da:	4.79
IP(EA), eV:	-8.1(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4-fluorophenyl)methyl]-5-methylpyridin-3-amine

Drug info:

PubChemData

Smile

CC1=NN(C=C1CNC2=CN=C(C=C2)NC(=O)OC(C)(C)C)C

DOS

IR

Vibrations