Geometry & MOs

Info

ID:	218275
PubChem CID:	85089117
Reduced:	N4O5C23H32 (1)
Stoich.:	A4B5C23D32 (1)
Weight, g/mol:	448.226312
ΔH_f, kcal/mol:	-173.44
Dipole, Da:	6.4
IP(EA), eV:	-9.27(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-methyl-6-(4-methylphenyl)-2,3,3a,4,5,7a-hexahydro-1H-indazol-4-yl]-3-phenylquinazolin-4-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C2=NC3=C(O2)C=CC(=C3)CO)N

DOS

IR

Vibrations