Geometry & MOs

Info

ID:	196534
PubChem CID:	78845553
Reduced:	N2O2C11H13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	423.18821
ΔH_f, kcal/mol:	-28.01
Dipole, Da:	5.32
IP(EA), eV:	-8.87(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-methyl-5-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1CCCN(CC1)C(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-]

DOS

IR

Vibrations