Geometry & MOs

Info

ID:	177922
PubChem CID:	76252479
Reduced:	O2N4C27H28 (1)
Stoich.:	A2B4C27D28 (1)
Weight, g/mol:	362.154289
ΔH_f, kcal/mol:	54.34
Dipole, Da:	4.54
IP(EA), eV:	-8.81(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[ethyl-[(5-fluoroquinolin-8-yl)methyl]amino]methyl]-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)N(C)CC3=C(ON=C3C)C)CC4=CC=CC=C4

DOS

IR

Vibrations