Geometry & MOs

Info

ID:	396999
PubChem CID:	135029570
Reduced:	NSO2C10H17 (1)
Stoich.:	ABC2D10E17 (1)
Weight, g/mol:	312.187801
ΔH_f, kcal/mol:	-111.57
Dipole, Da:	4.64
IP(EA), eV:	-8.88(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dipropylbenzo[a]anthracene

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1N2[C@H](CS1)[C@@H](CC2=O)O

DOS

IR

Vibrations