Geometry & MOs

Info

ID:	189690
PubChem CID:	77889864
Reduced:	O2N3C27H29 (1)
Stoich.:	A2B3C27D29 (1)
Weight, g/mol:	554.304562
ΔH_f, kcal/mol:	-38.66
Dipole, Da:	2.65
IP(EA), eV:	-9.35(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N3C4CCCCC4N(C3=N2)C(=O)C5=CC=C(C=C5)C6=CC=CC=C6

DOS

IR

Vibrations