Geometry & MOs

Info

ID:	167520
PubChem CID:	74841560
Reduced:	ClSO2N3H14C16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	357.241627
ΔH_f, kcal/mol:	74.14
Dipole, Da:	2.11
IP(EA), eV:	-9.27(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[1-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)propyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC(C1=NC(=O)C2C=CC(=CC2=N1)Cl)N(C)C(=O)C3=CC=CS3

DOS

IR

Vibrations