Geometry & MOs

Info

ID:	330717
PubChem CID:	127248124
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	384.123383
ΔH_f, kcal/mol:	-45.45
Dipole, Da:	5.11
IP(EA), eV:	-9.7(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-[[2-(2-fluorophenyl)acetyl]amino]-1-methylpyrazol-4-yl]methyl]-6-oxopyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@]12CCN([C@@H]1CC[C@H](C2)OC)C(=O)C3=CN=NC=C3

DOS

IR

Vibrations