Geometry & MOs

Info

ID:	178674
PubChem CID:	76366894
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	428.253589
ΔH_f, kcal/mol:	-137.63
Dipole, Da:	6.13
IP(EA), eV:	-9.22(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dimethyl-2,5-dioxo-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3,4,4a,6,8,8a-hexahydro-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC(=CC=C1)NC(=O)C2C=C3C(=NC2=O)CC(CC3=O)(C)C)C(=O)C

DOS

IR

Vibrations