Geometry & MOs

Info

ID:	417527
PubChem CID:	135098814
Reduced:	FO2N3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	400.153541
ΔH_f, kcal/mol:	-31.87
Dipole, Da:	3.69
IP(EA), eV:	-8.7(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-quinazoline-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)F)C(=O)N3C[C@H]4CN([C@@H](C3)COC4)C

DOS

IR

Vibrations