Geometry & MOs

Info

ID:	186578
PubChem CID:	77447548
Reduced:	FO3N7C29H34 (1)
Stoich.:	AB3C7D29E34 (1)
Weight, g/mol:	160.137577
ΔH_f, kcal/mol:	-94.87
Dipole, Da:	5.3
IP(EA), eV:	-8.48(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-fluoropyrrolidin-3-amine

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)OC2=NC3=C(C4=C(N3)C(=CC(=C4)F)N(C)C(=O)OC(C)(C)C)C(=N2)N5CC6CCCCC6C5

DOS

IR

Vibrations