Geometry & MOs

Info

ID:	184876
PubChem CID:	77222568
Reduced:	O2N5C27H31 (1)
Stoich.:	A2B5C27D31 (1)
Weight, g/mol:	629.341074
ΔH_f, kcal/mol:	-17.94
Dipole, Da:	4.72
IP(EA), eV:	-8.48(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1CC(CC(O1)C)CN2C3=C(N=CC(=C3)C4=CN=C5C(=C4)C=CN5)N(C2=O)C6=CCCCC6

DOS

IR

Vibrations