Geometry & MOs

Info

ID:	323072
PubChem CID:	126672091
Reduced:	FO5N7C33H38 (1)
Stoich.:	AB5C7D33E38 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-177.93
Dipole, Da:	5.89
IP(EA), eV:	-8.47(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(4R)-1-(1-benzylpyrazol-3-yl)-4-hydroxypyrrolidin-3-yl]carbamate

Drug info:

PubChemData

Smile

C[C@]1(CCCN(C1)C2=NN(C=C2)C3=CC(=NC4=C3C(=O)N(C4)C(=O)OC(C)(C)C)C5=C(C=CC=C5F)C#N)NC(=O)OC(C)(C)C

DOS

IR

Vibrations