Geometry & MOs

Info

ID:	121202
PubChem CID:	50758644
Reduced:	O3N5C22H35 (1)
Stoich.:	A3B5C22D35 (1)
Weight, g/mol:	441.217618
ΔH_f, kcal/mol:	-126.94
Dipole, Da:	6.11
IP(EA), eV:	-9.59(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-cyclohexyl-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)C1(CN2C(=CC(=N2)C(=O)NC3CCCCCC3)C(=O)N1C)C

DOS

IR

Vibrations