Geometry & MOs

Info

ID:	245093
PubChem CID:	99437442
Reduced:	ON5H19C21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	77.91
Dipole, Da:	3.97
IP(EA), eV:	-9.03(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate

Drug info:

PubChemData

Smile

C1C[C@@H](C2=CC=CC=C2C1)N3C(=CC=N3)NC(=O)C4=CN5C=CN=C5C=C4

DOS

IR

Vibrations