Geometry & MOs

Info

ID:	297232
PubChem CID:	117613665
Reduced:	IC8H17 (1)
Stoich.:	AB8C17 (1)
Weight, g/mol:	416.221226
ΔH_f, kcal/mol:	-31.79
Dipole, Da:	2.69
IP(EA), eV:	-9.57(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(5E)-5-ethylidene-4-methylidene-1,3-oxazol-2-yl]amino]-7-phenylspiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one

Drug info:

PubChemData

Smile

C[C@@H](CCCC(C)C)I

DOS

IR

Vibrations