Geometry & MOs

Info

ID:	39927
PubChem CID:	8143221
Reduced:	N2O3C11H16 (1)
Stoich.:	A2B3C11D16 (1)
Weight, g/mol:	396.125612
ΔH_f, kcal/mol:	-116.43
Dipole, Da:	6.15
IP(EA), eV:	-10.11(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-methoxyethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/NC(=O)CC(C)C)/C#N

DOS

IR

Vibrations