Geometry & MOs

Info

ID:	327482
PubChem CID:	126690067
Reduced:	FOSN8C25H25 (1)
Stoich.:	ABCD8E25F25 (1)
Weight, g/mol:	377.16856
ΔH_f, kcal/mol:	83.17
Dipole, Da:	5.07
IP(EA), eV:	-8.9(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-3,4-dimethyl-2,3-dihydro-1H-1,2,4-triazin-5-yl]propan-1-ol

Drug info:

PubChemData

Smile

CCC1=C(N2C=C(N=CC2=N1)N3CCN(CC3)CC=O)N(C)C4=NC(=C(S4)C#N)C5=CC=C(C=C5)F

DOS

IR

Vibrations