Geometry & MOs

Info

ID:	167522
PubChem CID:	74841562
Reduced:	N3O3H23C24 (1)
Stoich.:	A3B3C23D24 (1)
Weight, g/mol:	362.150954
ΔH_f, kcal/mol:	3.67
Dipole, Da:	6.99
IP(EA), eV:	-9.42(-1.4)
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-methylurea

Drug info:

PubChemData

Smile

CCC(C1=NC(=O)C2C=CC=CC2=N1)N(CC3=CC=CO3)C(=O)CC4=CC=CC=C4

DOS

IR

Vibrations