Geometry & MOs

Info

ID:	327879
PubChem CID:	126691212
Reduced:	OF4N5H15C21 (1)
Stoich.:	AB4C5D15E21 (1)
Weight, g/mol:	447.190654
ΔH_f, kcal/mol:	-91.87
Dipole, Da:	4.5
IP(EA), eV:	-9.57(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[(3R)-1-[(Z)-4-hydroxybut-2-enoyl]pyrrolidin-3-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(CC1N2C(=NC3=CN=C4C=CC(=CC4=C32)C#N)CC5=NOC(=C5)C(F)(F)F)F

DOS

IR

Vibrations