Geometry & MOs

Info

ID:	359053
PubChem CID:	127297297
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	384.187401
ΔH_f, kcal/mol:	-120.61
Dipole, Da:	5.76
IP(EA), eV:	-8.94(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethyl)-4-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]quinazoline

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=C(N=CC=C2)N3CCC(CC3)OC4CCCC4

DOS

IR

Vibrations