Geometry & MOs

Info

ID:	193491
PubChem CID:	78399870
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	457.284161
ΔH_f, kcal/mol:	-13.94
Dipole, Da:	3.49
IP(EA), eV:	-8.4(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2C(C1)C3=NC(CN3C(=O)N2)CN4CCN(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations