Geometry & MOs

Info

ID:	160662
PubChem CID:	57389360
Reduced:	F3N3O3C29H32 (1)
Stoich.:	A3B3C3D29E32 (1)
Weight, g/mol:	472.172225
ΔH_f, kcal/mol:	-261.63
Dipole, Da:	3.24
IP(EA), eV:	-8.88(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]propylamino]pyrazine-2-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2=CC=C(C=C2)C(F)(F)F)C)C(CC(C)C)NC3=NC=C(C=C3)C(=O)NCCC(=O)O

DOS

IR

Vibrations