Geometry & MOs

Info

ID:	237099
PubChem CID:	92717293
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	311.138225
ΔH_f, kcal/mol:	5.32
Dipole, Da:	6.84
IP(EA), eV:	-9.31(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2N=C(C(=N2)C(=O)N[C@H](C)C3=CC=CC=C3)CO

DOS

IR

Vibrations