Geometry & MOs

Info

ID:	336347
PubChem CID:	127255354
Reduced:	O4N5C23H23 (1)
Stoich.:	A4B5C23D23 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	-64.06
Dipole, Da:	2.73
IP(EA), eV:	-9.11(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CC(C(C(=O)N1CCCC3=NC(=NO3)C4=CC=NC=C4)C(=O)N)C5=CC=CC=C5O2

DOS

IR

Vibrations