Geometry & MOs

Info

ID:	185440
PubChem CID:	77300351
Reduced:	SiN3O10C39H65 (1)
Stoich.:	AB3C10D39E65 (1)
Weight, g/mol:	406.12772
ΔH_f, kcal/mol:	-485.49
Dipole, Da:	3.66
IP(EA), eV:	-9.24(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;6-imidazol-1-yl-2-phenylquinazoline;hydrate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)OC1CCC(C2C1NC(=O)CC2)C(CNC(=O)OCCCCCCOCCCCC3=CC=C(C=C3)[N+](=O)[O-])O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations