Geometry & MOs

Info

ID:	57562
PubChem CID:	22415321
Reduced:	N2O3C15H24 (1)
Stoich.:	A2B3C15D24 (1)
Weight, g/mol:	510.263091
ΔH_f, kcal/mol:	-131.69
Dipole, Da:	3.59
IP(EA), eV:	-9.7(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,9-dimethyl-10-[3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one

Drug info:

PubChemData

Smile

CC(=O)N1C(CCC(C1(C)C)C2CCOCO2)CC#N

DOS

IR

Vibrations