Geometry & MOs

Info

ID:	415052
PubChem CID:	135088038
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	355.161995
ΔH_f, kcal/mol:	-52.09
Dipole, Da:	2.98
IP(EA), eV:	-8.95(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)CCC3=CN=CC=C3

DOS

IR

Vibrations