Geometry & MOs

Info

ID:	144369
PubChem CID:	53357077
Reduced:	FOCl2N5H16C20 (1)
Stoich.:	ABC2D5E16F20 (1)
Weight, g/mol:	410.127631
ΔH_f, kcal/mol:	4.55
Dipole, Da:	6.4
IP(EA), eV:	-9.16(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[4-[(4-chloro-5-methoxy-3-methylpyrazol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C)NC(=O)C2=CC3=C(C(=C2)Cl)N=C(N3)C4=C(C=CC=C4Cl)F

DOS

IR

Vibrations