Geometry & MOs

Info

ID:	41638
PubChem CID:	8146654
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	-14.97
Dipole, Da:	6.67
IP(EA), eV:	-9.19(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CO1)N[C@@H](C)C2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations