Geometry & MOs

Info

ID:	244550
PubChem CID:	99364910
Reduced:	N4O4C21H24 (1)
Stoich.:	A4B4C21D24 (1)
Weight, g/mol:	360.12224
ΔH_f, kcal/mol:	-99.75
Dipole, Da:	7.71
IP(EA), eV:	-9.59(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxoquinazolin-3-yl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NCC3=NOC(=C3)C4=CC=CC=C4

DOS

IR

Vibrations