Geometry & MOs

Info

ID:	72556
PubChem CID:	48416301
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	415.204196
ΔH_f, kcal/mol:	-89.12
Dipole, Da:	3.9
IP(EA), eV:	-9.13(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)COC2=CC=CC(=C2)C(=O)N3CCCC(C3)N4CCNC4=O

DOS

IR

Vibrations