Geometry & MOs

Info

ID:	173174
PubChem CID:	75605801
Reduced:	FON3H20C21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	395.159354
ΔH_f, kcal/mol:	-5.42
Dipole, Da:	1.86
IP(EA), eV:	-8.89(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-4-oxo-4aH-quinazoline-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1F)NC(=O)C2CC(NN2)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations