Geometry & MOs

Info

ID:	445123
PubChem CID:	135264651
Reduced:	O4N5C21H21 (1)
Stoich.:	A4B5C21D21 (1)
Weight, g/mol:	469.151682
ΔH_f, kcal/mol:	-92.51
Dipole, Da:	3.12
IP(EA), eV:	-9.32(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-6-yl]methyl]urea

Drug info:

PubChemData

Smile

CC1=NC2C=CC=C(C2C(=O)N1C3CCC(=O)NC3=O)CNC(=O)C4=CC=CC=N4

DOS

IR

Vibrations