Geometry & MOs

Info

ID:	26457
PubChem CID:	649001
Reduced:	N3O4C26H33 (1)
Stoich.:	A3B4C26D33 (1)
Weight, g/mol:	312.98845
ΔH_f, kcal/mol:	-128.56
Dipole, Da:	6.55
IP(EA), eV:	-8.14(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hydron;1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;bromide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(=O)NC2CCN(CC2)CC(=O)N3CCCC4=CC=CC=C43)OC

DOS

IR

Vibrations