Geometry & MOs

Info

ID:	167523
PubChem CID:	74841563
Reduced:	ClO2N4C18H23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	390.182254
ΔH_f, kcal/mol:	-44.51
Dipole, Da:	2.27
IP(EA), eV:	-9.47(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(7-chloro-4-oxo-4aH-quinazolin-2-yl)ethyl]-3-cyclohexyl-1-propan-2-ylurea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations