Geometry & MOs

Info

ID:	193490
PubChem CID:	78399699
Reduced:	N3O6C19H19 (1)
Stoich.:	A3B6C19D19 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-55.01
Dipole, Da:	5.9
IP(EA), eV:	-8.75(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-benzylpiperazin-1-yl)methyl]-3,6,6a,7,8,9,10,10a-octahydro-2H-imidazo[1,2-c]quinazolin-5-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)NN=CC=CC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations