Geometry & MOs

Info

ID:	43805
PubChem CID:	10321814
Reduced:	F2N4O5H18C22 (1)
Stoich.:	A2B4C5D18E22 (1)
Weight, g/mol:	456.147233
ΔH_f, kcal/mol:	-173.73
Dipole, Da:	4.48
IP(EA), eV:	-9.56(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-[5-(2,5-difluorophenyl)-3-phenyl-3,6-dihydro-2H-pyridin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC1=C2N(C(=O)C(C1=O)CC3=CC(=C(C=C3)F)F)N=C(O2)C(=O)NCC4=CC(=NC=C4)OC

DOS

IR

Vibrations