Geometry & MOs

Info

ID:	352360
PubChem CID:	127283447
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	355.175673
ΔH_f, kcal/mol:	-66.61
Dipole, Da:	4.21
IP(EA), eV:	-8.87(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)C3=CC4=CC=CC=C4NC3=O)C

DOS

IR

Vibrations