Geometry & MOs

Info

ID:	430245
PubChem CID:	135170309
Reduced:	BrO5H17C18 (1)
Stoich.:	AB5C17D18 (1)
Weight, g/mol:	353.283098
ΔH_f, kcal/mol:	-129.39
Dipole, Da:	3.42
IP(EA), eV:	-9.12(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-2-[4-methyl-2-(2-methylcyclopenten-1-yl)-5-(pyrrolidin-1-ylmethyl)phenyl]hydrazine

Drug info:

PubChemData

Smile

COCC1=C[C@H]2[C@H]3[C@@H]([C@@H]1O2)C(=O)C(C3=O)C4=C(C=C(C=C4)Br)OC

DOS

IR

Vibrations