Geometry & MOs

Info

ID:	233144
PubChem CID:	87692576
Reduced:	AsF2N2O5C24H33 (1)
Stoich.:	AB2C2D5E24F33 (1)
Weight, g/mol:	509.163683
ΔH_f, kcal/mol:	-267.61
Dipole, Da:	1.31
IP(EA), eV:	-9.25(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(3-chlorophenyl)cyclohex-3-yn-1-yl]methylamino]-N-(2-methoxyethyl)-5-phenylpyridine-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C)COC(=O)N1CCC(CC1)[As](CCC2CC2)C(=O)NC3=C(C=C(C(=C3)C(=O)OC)F)F

DOS

IR

Vibrations