Geometry & MOs

Info

ID:	307583
PubChem CID:	125307578
Reduced:	ON2C26H32 (1)
Stoich.:	AB2C26D32 (1)
Weight, g/mol:	545.127297
ΔH_f, kcal/mol:	-6.43
Dipole, Da:	4.69
IP(EA), eV:	-9.09(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=C(C(=O)N([C@@H]1C2=C3C=CC=CC3=NC2)[C@H](C)C45CC6CC(C4)CC(C6)C5)C

DOS

IR

Vibrations