Geometry & MOs

Info

ID:	444043
PubChem CID:	135261160
Reduced:	O2F3N4C26H27 (1)
Stoich.:	A2B3C4D26E27 (1)
Weight, g/mol:	484.208611
ΔH_f, kcal/mol:	-166.92
Dipole, Da:	6.06
IP(EA), eV:	-8.61(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[1-[[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyrido[3,4-b]pyrazin-5-yl]amino]ethyl]benzoate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)C(=O)OC)NC2=NC=CC3=C2N(CCN3C)CC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations