Geometry & MOs

Info

ID:	443944
PubChem CID:	135260684
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	292.109089
ΔH_f, kcal/mol:	-69.32
Dipole, Da:	3.94
IP(EA), eV:	-9.64(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(5-methyl-1,4-diazepan-1-yl)-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C=CCCNC(=O)[C@@H]1C[C@@H]1C2=CC(=NC=C2)[C@H](CC=C)NC(=O)O

DOS

IR

Vibrations