Geometry & MOs

Info

ID:	72753
PubChem CID:	48416508
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	396.227374
ΔH_f, kcal/mol:	-79.14
Dipole, Da:	3.64
IP(EA), eV:	-9.07(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carbonyl)piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)N4CCNC4=O

DOS

IR

Vibrations