Geometry & MOs

Info

ID:	167524
PubChem CID:	74841564
Reduced:	ClO2N4C20H27 (1)
Stoich.:	AB2C4D20E27 (1)
Weight, g/mol:	499.13497
ΔH_f, kcal/mol:	-58.98
Dipole, Da:	6.41
IP(EA), eV:	-9.04(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromophenyl)-1-[1-(7-chloro-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)ethyl]-1-[2-(dimethylamino)ethyl]urea

Drug info:

PubChemData

Smile

CC(C)N(C(C)C1=NC(=O)C2C=CC(=CC2=N1)Cl)C(=O)NC3CCCCC3

DOS

IR

Vibrations