Geometry & MOs

Info

ID:	217827
PubChem CID:	85088442
Reduced:	N4O4C21H30 (1)
Stoich.:	A4B4C21D30 (1)
Weight, g/mol:	400.222289
ΔH_f, kcal/mol:	-77.89
Dipole, Da:	2.92
IP(EA), eV:	-8.1(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-butyl-5-(4-methylpiperazine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-1,4,6-triene-3,9-dione

Drug info:

PubChemData

Smile

CCC(CC)NC1=NC(=C(N=C1OC)C2=C(C=C(C=C2OC)C=NOC)OC)C

DOS

IR

Vibrations