Geometry & MOs

Info

ID:	426040
PubChem CID:	135135277
Reduced:	F2O4N5C24H27 (1)
Stoich.:	A2B4C5D24E27 (1)
Weight, g/mol:	362.231791
ΔH_f, kcal/mol:	-203.66
Dipole, Da:	6.95
IP(EA), eV:	-8.82(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[5-(tert-butylcarbamoyl)pyrazin-2-yl]methyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CN(CC[C@H]1NC(=O)C2=C(C=CC=N2)OC(F)F)C(=O)C3=CC4=C(C(=C3)C)N=C(N4C)OC

DOS

IR

Vibrations