Geometry & MOs

Info

ID:	66086
PubChem CID:	46491051
Reduced:	NF3O3C18H22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	367.16444
ΔH_f, kcal/mol:	-299.73
Dipole, Da:	6.5
IP(EA), eV:	-9.8(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2CCCC(C2)C(F)(F)F

DOS

IR

Vibrations