Geometry & MOs

Info

ID:	189693
PubChem CID:	77889867
Reduced:	ON4C35H36 (1)
Stoich.:	AB4C35D36 (1)
Weight, g/mol:	413.246713
ΔH_f, kcal/mol:	30.42
Dipole, Da:	3.82
IP(EA), eV:	-8.06(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-phenylphenyl)methyl]-1,2,3,4,4a,6a,7,8,9,10,10a,12a-dodecahydrobenzimidazolo[2,1-b]quinazolin-12-one

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N3C4=C(C=C(C=C4)N5C6CCCCC6N7C5=NC8CCCCC8C7=O)C9=C3C1=CC=C9)C

DOS

IR

Vibrations