Geometry & MOs

Info

ID:	68667
PubChem CID:	46508866
Reduced:	BrO2N5C23H26 (1)
Stoich.:	AB2C5D23E26 (1)
Weight, g/mol:	391.135448
ΔH_f, kcal/mol:	24.2
Dipole, Da:	4.1
IP(EA), eV:	-8.95(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(N-benzyl-4-methoxyanilino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)C(C)C(=O)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations