Geometry & MOs

Info

ID:	356537
PubChem CID:	127291759
Reduced:	O3N5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	361.175004
ΔH_f, kcal/mol:	-46.67
Dipole, Da:	5.04
IP(EA), eV:	-8.93(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)C3=CN=C4C=CC=CN4C3=O)C

DOS

IR

Vibrations