Geometry & MOs

Info

ID:	185799
PubChem CID:	77349108
Reduced:	ON6C31H38 (1)
Stoich.:	AB6C31D38 (1)
Weight, g/mol:	439.324362
ΔH_f, kcal/mol:	81.91
Dipole, Da:	8.36
IP(EA), eV:	-8.1(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCC(C1=C(C=CC=C1CC)CC)N2C=CN(C2=O)CC3=CC=C(C=C3)C4=CC=CC=C4C5NNNN5

DOS

IR

Vibrations