Geometry & MOs

Info

ID:	352358
PubChem CID:	127283445
Reduced:	O3N4C17H22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	397.175004
ΔH_f, kcal/mol:	-78.78
Dipole, Da:	6.63
IP(EA), eV:	-9.18(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)C3=CC(=O)N(C=C3)C)C

DOS

IR

Vibrations