Geometry & MOs

Info

ID:	440188
PubChem CID:	135230098
Reduced:	NC6H12 (2)
Stoich.:	AB6C12 (2)
Weight, g/mol:	394.222957
ΔH_f, kcal/mol:	-2.62
Dipole, Da:	1.91
IP(EA), eV:	-8.21(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13,13-dimethyl-4-[(5-piperazin-1-ylpyridin-2-yl)amino]-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-ol

Drug info:

PubChemData

Smile

CCC/C=N\N(CC)/C(=C\C)/C(C)C

DOS

IR

Vibrations