Geometry & MOs

Info

ID:	350325
PubChem CID:	127277403
Reduced:	NO4C19H27 (1)
Stoich.:	AB4C19D27 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-178.39
Dipole, Da:	3.46
IP(EA), eV:	-8.7(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclohexyl-2-hydroxyethyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(CNC(=O)CCC2=CC3=C(C=C2)OCCO3)O

DOS

IR

Vibrations