Geometry & MOs

Info

ID:	344528
PubChem CID:	127268112
Reduced:	O2N4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-33.05
Dipole, Da:	3.93
IP(EA), eV:	-9.01(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(2-cyclohexylacetyl)piperazin-1-yl]ethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)C2CC2)N3CCN(CC3)C(=O)CC4CCCCC4

DOS

IR

Vibrations