Geometry & MOs

Info

ID:	322692
PubChem CID:	126670841
Reduced:	BrO3N8C28H29 (1)
Stoich.:	AB3C8D28E29 (1)
Weight, g/mol:	114.115698
ΔH_f, kcal/mol:	-8.25
Dipole, Da:	5.86
IP(EA), eV:	-8.84(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1,5-dimethylpyrrolidin-3-amine

Drug info:

PubChemData

Smile

C[C@@H]1CN([C@@H]([C@@H]1C)C(=O)NC2=C(C=CC(=N2)Br)C)C(=O)CN3C4=C(C=C(C=C4)C5=CN=C(N=C5)N)C(=N3)C(=O)C

DOS

IR

Vibrations