Geometry & MOs

Info

ID:	336097
PubChem CID:	127255104
Reduced:	O2N4H22C23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	392.148455
ΔH_f, kcal/mol:	9.82
Dipole, Da:	2.92
IP(EA), eV:	-8.25(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-7-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CCNC(=O)CN3C=C(N=CC3=O)C4=CC=CC=C4

DOS

IR

Vibrations