Geometry & MOs

Info

ID:	41616
PubChem CID:	8146579
Reduced:	ClO2N3H14C15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	329.137556
ΔH_f, kcal/mol:	-19.64
Dipole, Da:	5.34
IP(EA), eV:	-9.51(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CO1)NCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

DOS

IR

Vibrations