Geometry & MOs

Info

ID:	441762
PubChem CID:	135243634
Reduced:	OC6H9 (4)
Stoich.:	AB6C9 (4)
Weight, g/mol:	375.136511
ΔH_f, kcal/mol:	-205.0
Dipole, Da:	3.19
IP(EA), eV:	-9.69(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[(5-acetyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCCC(C)(C)OC1CCCCC1OC(=O)C2=CC=CC=C2C(=O)C(C)(C)C

DOS

IR

Vibrations