Geometry & MOs

Info

ID:	363034
PubChem CID:	127310065
Reduced:	FO2N3C23H26 (1)
Stoich.:	AB2C3D23E26 (1)
Weight, g/mol:	390.216809
ΔH_f, kcal/mol:	-102.76
Dipole, Da:	5.89
IP(EA), eV:	-9.04(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2CC1CC(=O)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations